# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_P-1_a
_database_code_depnum_ccdc_archive 'CCDC 2220000'
loop_
_audit_author_name
_audit_author_address
'Antoine Barthelemy'
;Albert Ludwigs University Freiburg
Germany
;
_audit_update_record             
;
2022-11-16 deposited with the CCDC.	2022-12-20 downloaded from the CCDC.
;
_audit_creation_method           
;FinalCif V110 by Daniel Kratzert, Freiburg 2022,
https://dkratzert.de/finalcif.html
;
_shelx_SHELXL_version_number     2019/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_sum            'C174 H128 Al4 F150 Ga4 N8 O16'
_chemical_formula_moiety         
'4(C16 Al F36 O4), 2(C46 H58 Ga2 N4), 3(C6 H4 F2)'
_chemical_formula_weight         5823.65
_chemical_melting_point          ?
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   18.321(8)
_cell_length_b                   19.089(9)
_cell_length_c                   30.659(14)
_cell_angle_alpha                88.15(2)
_cell_angle_beta                 87.32(3)
_cell_angle_gamma                88.370(13)
_cell_volume                     10701(9)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9775
_cell_measurement_theta_min      2.3535
_cell_measurement_theta_max      30.947
_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: ortho-difluorobenzene/pentane'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.807
_exptl_crystal_F_000             5764
_exptl_crystal_size_max          0.491
_exptl_crystal_size_mid          0.386
_exptl_crystal_size_min          0.216
_exptl_absorpt_coefficient_mu    0.706
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6753
_exptl_absorpt_correction_T_max  0.7463
_exptl_absorpt_process_details   
;SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction:
Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., J. Appl. Cryst. 48
(2015) 3-10
;
_exptl_absorpt_special_details   ?
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_special_details           ?
_diffrn_ambient_temperature      100(2)
_diffrn_ambient_environment      N~2~
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'mirror optics'
_olex2_diffrn_ambient_temperature_device 'Oxford Cryostream 800'
_diffrn_measurement_ambient_temperature_device_make ?
_diffrn_radiation_probe          x-ray
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_source_current           1.4
_diffrn_detector                 CPAD
_diffrn_detector_type            'Bruker PHOTON III'
_diffrn_detector_area_resol_mean 7.41
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE dual wavelength Mo/Cu'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_reflns_number            347634
_diffrn_reflns_av_unetI/netI     0.0331
_diffrn_reflns_av_R_equivalents  0.0355
_diffrn_reflns_theta_min         1.275
_diffrn_reflns_theta_max         31.586
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -45
_diffrn_reflns_limit_l_max       45
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             71603
_reflns_number_gt                53961
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_computing_data_collection       
'Bruker BIS V6.2.15 Patch 4/2021-03-15 && APEX4 2021.10-0'
_computing_cell_refinement       'SAINT V8.40B'
_computing_data_reduction        'SAINT V8.40B'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0735P)²+10.5301P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         71603
_refine_ls_number_parameters     4964
_refine_ls_number_restraints     124253
_refine_ls_R_factor_all          0.0714
_refine_ls_R_factor_gt           0.0501
_refine_ls_wR_factor_ref         0.1461
_refine_ls_wR_factor_gt          0.1310
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_restrained_S_all      0.945
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.142
_refine_diff_density_min         -0.670
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ga1 Ga 0.68543(2) 0.80913(2) 0.07866(2) 0.01380(4) Uani 1 1 d . . . . .
Ga2 Ga 0.64129(2) 0.72393(2) 0.13112(2) 0.01393(4) Uani 1 1 d . . . . .
Ga3 Ga 0.86591(2) 0.27070(2) 0.37094(2) 0.01376(4) Uani 1 1 d . . . . .
Ga4 Ga 0.80699(2) 0.18986(2) 0.42089(2) 0.01431(4) Uani 1 1 d . . . . .
Al1 Al 0.31598(3) 0.21453(3) 0.22208(2) 0.01503(10) Uani 1 1 d . . . . .
Al2 Al 0.34191(3) 0.23099(3) 0.56003(2) 0.01312(10) Uani 1 1 d . . . . .
Al3 Al -0.19497(3) 0.25139(3) 0.72058(2) 0.01446(10) Uani 1 1 d . . . . .
Al4 Al -0.15428(3) 0.22433(3) 1.06143(2) 0.02038(12) Uani 1 1 d . . . . .
N1 N 0.77820(8) 0.81327(8) 0.05257(5) 0.0153(3) Uani 1 1 d . . . . .
N2 N 0.63966(8) 0.88739(8) 0.05435(5) 0.0150(3) Uani 1 1 d . . . . .
N3 N 0.65100(8) 0.72423(8) 0.19077(5) 0.0150(3) Uani 1 1 d . . . . .
N4 N 0.59130(9) 0.64239(8) 0.12464(5) 0.0177(3) Uani 1 1 d . . . . .
N5 N 0.86091(9) 0.27210(8) 0.31093(5) 0.0158(3) Uani 1 1 d . . . . .
N6 N 0.92535(9) 0.34525(8) 0.37904(5) 0.0151(3) Uani 1 1 d . . . . .
N7 N 0.84531(9) 0.10828(8) 0.44573(5) 0.0162(3) Uani 1 1 d . . . . .
N8 N 0.71182(8) 0.19077(8) 0.44372(5) 0.0163(3) Uani 1 1 d . . . . .
C1A C 0.83049(10) 0.76028(10) 0.06735(6) 0.0160(3) Uani 1 1 d . . . . .
C2A C 0.87522(11) 0.77601(10) 0.10142(7) 0.0198(3) Uani 1 1 d . . . . .
C3A C 0.92245(12) 0.72331(12) 0.11658(8) 0.0261(4) Uani 1 1 d . . . . .
H3A H 0.954221 0.733306 0.139058 0.031 Uiso 1 1 calc R U . . .
C4A C 0.92454(11) 0.65638(12) 0.09979(8) 0.0255(4) Uani 1 1 d . . . . .
C5A C 0.87848(11) 0.64262(11) 0.06650(7) 0.0228(4) Uani 1 1 d . . . . .
H5A H 0.879148 0.596895 0.055116 0.027 Uiso 1 1 calc R U . . .
C6A C 0.83138(10) 0.69391(10) 0.04935(6) 0.0182(3) Uani 1 1 d . . . . .
C7A C 0.87248(14) 0.84745(12) 0.12078(8) 0.0295(5) Uani 1 1 d . . . . .
H7AA H 0.881440 0.883102 0.097576 0.044 Uiso 1 1 calc R U . . .
H7AB H 0.910028 0.849683 0.142392 0.044 Uiso 1 1 calc R U . . .
H7AC H 0.824182 0.856124 0.134986 0.044 Uiso 1 1 calc R U . . .
C8A C 0.97636(16) 0.60053(15) 0.11680(11) 0.0434(7) Uani 1 1 d . . . . .
H8AA H 0.954313 0.554549 0.115276 0.065 Uiso 1 1 calc R U . . .
H8AB H 0.986328 0.609576 0.147208 0.065 Uiso 1 1 calc R U . . .
H8AC H 1.022193 0.601088 0.098998 0.065 Uiso 1 1 calc R U . . .
C9A C 0.78467(13) 0.67805(12) 0.01179(7) 0.0266(4) Uani 1 1 d . . . . .
H9AA H 0.800024 0.706573 -0.013996 0.040 Uiso 1 1 calc R U . . .
H9AB H 0.733306 0.689046 0.019784 0.040 Uiso 1 1 calc R U . . .
H9AC H 0.790378 0.628251 0.005188 0.040 Uiso 1 1 calc R U . . .
C10A C 0.79598(10) 0.86428(10) 0.02287(6) 0.0170(3) Uani 1 1 d . . . . .
C11A C 0.74717(10) 0.91801(10) 0.01035(6) 0.0177(3) Uani 1 1 d . . . . .
H11A H 0.766098 0.951160 -0.010702 0.021 Uiso 1 1 calc R U . . .
C12A C 0.67435(10) 0.92970(9) 0.02452(6) 0.0161(3) Uani 1 1 d . . . . .
C13A C 0.87122(11) 0.86327(12) 0.00172(7) 0.0241(4) Uani 1 1 d . . . . .
H13A H 0.886338 0.814879 -0.004666 0.036 Uiso 1 1 calc R U . . .
H13B H 0.905376 0.882711 0.021506 0.036 Uiso 1 1 calc R U . . .
H13C H 0.871261 0.891561 -0.025525 0.036 Uiso 1 1 calc R U . . .
C14A C 0.63289(11) 0.99138(11) 0.00568(7) 0.0221(4) Uani 1 1 d . . . . .
H14A H 0.662138 1.012861 -0.018494 0.033 Uiso 1 1 calc R U . . .
H14B H 0.622684 1.025832 0.028340 0.033 Uiso 1 1 calc R U . . .
H14C H 0.586732 0.975797 -0.005124 0.033 Uiso 1 1 calc R U . . .
C15A C 0.56431(9) 0.90117(9) 0.06894(6) 0.0146(3) Uani 1 1 d . . . . .
C16A C 0.50910(10) 0.86759(10) 0.04819(6) 0.0160(3) Uani 1 1 d . . . . .
C17A C 0.43768(10) 0.87572(10) 0.06537(6) 0.0171(3) Uani 1 1 d . . . . .
H17A H 0.399358 0.853823 0.051572 0.020 Uiso 1 1 calc R U . . .
C18A C 0.42088(10) 0.91502(10) 0.10217(6) 0.0166(3) Uani 1 1 d . . . . .
C19A C 0.47719(10) 0.94870(10) 0.12125(6) 0.0184(3) Uani 1 1 d . . . . .
H19A H 0.466072 0.976448 0.145985 0.022 Uiso 1 1 calc R U . . .
C20A C 0.54944(10) 0.94284(10) 0.10508(6) 0.0170(3) Uani 1 1 d . . . . .
C21A C 0.52603(12) 0.82366(12) 0.00859(7) 0.0252(4) Uani 1 1 d . . . . .
H21A H 0.480413 0.806633 -0.002137 0.038 Uiso 1 1 calc R U . . .
H21B H 0.557822 0.783630 0.016658 0.038 Uiso 1 1 calc R U . . .
H21C H 0.550812 0.852267 -0.014397 0.038 Uiso 1 1 calc R U . . .
C22A C 0.34325(11) 0.92028(11) 0.12050(7) 0.0225(4) Uani 1 1 d . . . . .
H22A H 0.315797 0.955425 0.103413 0.034 Uiso 1 1 calc R U . . .
H22B H 0.343050 0.934176 0.151001 0.034 Uiso 1 1 calc R U . . .
H22C H 0.320414 0.874669 0.119010 0.034 Uiso 1 1 calc R U . . .
C23A C 0.60950(11) 0.98084(12) 0.12602(7) 0.0244(4) Uani 1 1 d . . . . .
H23A H 0.633347 1.012444 0.104288 0.037 Uiso 1 1 calc R U . . .
H23B H 0.645582 0.946584 0.137013 0.037 Uiso 1 1 calc R U . . .
H23C H 0.588456 1.008095 0.150301 0.037 Uiso 1 1 calc R U . . .
C24A C 0.69948(10) 0.77411(9) 0.20787(6) 0.0145(3) Uani 1 1 d . . . . .
C25A C 0.67306(10) 0.84144(10) 0.21800(6) 0.0173(3) Uani 1 1 d . . . . .
C26A C 0.72267(11) 0.88764(10) 0.23377(7) 0.0197(3) Uani 1 1 d . . . . .
H26A H 0.706438 0.934052 0.240162 0.024 Uiso 1 1 calc R U . . .
C27A C 0.79501(11) 0.86788(10) 0.24041(6) 0.0197(3) Uani 1 1 d . . . . .
C28A C 0.81902(10) 0.80031(11) 0.22999(7) 0.0200(3) Uani 1 1 d . . . . .
H28A H 0.868418 0.786465 0.234378 0.024 Uiso 1 1 calc R U . . .
C29A C 0.77233(10) 0.75255(10) 0.21329(6) 0.0168(3) Uani 1 1 d . . . . .
C30A C 0.59352(11) 0.86205(11) 0.21463(8) 0.0254(4) Uani 1 1 d . . . . .
H30A H 0.578727 0.855048 0.184807 0.038 Uiso 1 1 calc R U . . .
H30B H 0.586100 0.911522 0.221700 0.038 Uiso 1 1 calc R U . . .
H30C H 0.563966 0.832998 0.235182 0.038 Uiso 1 1 calc R U . . .
C31A C 0.84627(13) 0.91840(12) 0.25899(8) 0.0281(4) Uani 1 1 d . . . . .
H31A H 0.867027 0.948584 0.235378 0.042 Uiso 1 1 calc R U . . .
H31B H 0.885762 0.892091 0.273201 0.042 Uiso 1 1 calc R U . . .
H31C H 0.819330 0.947367 0.280466 0.042 Uiso 1 1 calc R U . . .
C32A C 0.79893(11) 0.67948(11) 0.20242(8) 0.0254(4) Uani 1 1 d . . . . .
H32A H 0.791257 0.671314 0.171597 0.038 Uiso 1 1 calc R U . . .
H32B H 0.771682 0.645303 0.220791 0.038 Uiso 1 1 calc R U . . .
H32C H 0.851135 0.674296 0.207809 0.038 Uiso 1 1 calc R U . . .
C33A C 0.61837(10) 0.67607(10) 0.21787(6) 0.0160(3) Uani 1 1 d . . . . .
C34A C 0.57923(10) 0.62080(10) 0.20277(6) 0.0186(3) Uani 1 1 d . . . . .
H34A H 0.557689 0.590711 0.224739 0.022 Uiso 1 1 calc R U . . .
C35A C 0.56740(10) 0.60366(10) 0.15972(6) 0.0193(3) Uani 1 1 d . . . . .
C36A C 0.62452(11) 0.68208(11) 0.26612(6) 0.0209(4) Uani 1 1 d . . . . .
H36A H 0.675704 0.674919 0.273531 0.031 Uiso 1 1 calc R U . . .
H36B H 0.594704 0.646446 0.281525 0.031 Uiso 1 1 calc R U . . .
H36C H 0.607170 0.728812 0.274892 0.031 Uiso 1 1 calc R U . . .
C37A C 0.52587(13) 0.53887(12) 0.15239(8) 0.0273(4) Uani 1 1 d . . . . .
H37A H 0.483010 0.551254 0.135493 0.041 Uiso 1 1 calc R U . . .
H37B H 0.509968 0.517564 0.180629 0.041 Uiso 1 1 calc R U . . .
H37C H 0.557476 0.505420 0.136243 0.041 Uiso 1 1 calc R U . . .
C38A C 0.57901(11) 0.62072(10) 0.08081(6) 0.0188(3) Uani 1 1 d . . . . .
C39A C 0.51653(11) 0.64589(10) 0.06029(7) 0.0214(4) Uani 1 1 d . . . . .
C40A C 0.50787(13) 0.62715(12) 0.01728(7) 0.0263(4) Uani 1 1 d . . . . .
H40A H 0.465889 0.643978 0.002729 0.032 Uiso 1 1 calc R U . . .
C41A C 0.55905(13) 0.58443(12) -0.00495(7) 0.0280(4) Uani 1 1 d . . . . .
C42A C 0.61993(13) 0.55946(12) 0.01686(7) 0.0279(4) Uani 1 1 d . . . . .
H42A H 0.654845 0.529861 0.002078 0.033 Uiso 1 1 calc R U . . .
C43A C 0.63100(12) 0.57682(11) 0.05996(7) 0.0231(4) Uani 1 1 d . . . . .
C44A C 0.45989(12) 0.69100(12) 0.08429(8) 0.0267(4) Uani 1 1 d . . . . .
H44A H 0.483230 0.732032 0.095318 0.040 Uiso 1 1 calc R U . . .
H44B H 0.437634 0.663795 0.108841 0.040 Uiso 1 1 calc R U . . .
H44C H 0.422024 0.706453 0.064303 0.040 Uiso 1 1 calc R U . . .
C45A C 0.54900(17) 0.56560(15) -0.05161(8) 0.0396(6) Uani 1 1 d . . . . .
H45A H 0.510586 0.595949 -0.063892 0.059 Uiso 1 1 calc R U . . .
H45B H 0.534949 0.516534 -0.052510 0.059 Uiso 1 1 calc R U . . .
H45C H 0.594937 0.572071 -0.068763 0.059 Uiso 1 1 calc R U . . .
C46A C 0.69734(13) 0.54861(13) 0.08303(8) 0.0300(5) Uani 1 1 d . . . . .
H46A H 0.726756 0.518315 0.063426 0.045 Uiso 1 1 calc R U . . .
H46B H 0.681549 0.521476 0.109298 0.045 Uiso 1 1 calc R U . . .
H46C H 0.726713 0.587752 0.091316 0.045 Uiso 1 1 calc R U . . .
C47A C 0.80869(10) 0.22700(10) 0.29266(6) 0.0160(3) Uani 1 1 d . . . . .
C48A C 0.73738(11) 0.25333(10) 0.28748(7) 0.0197(3) Uani 1 1 d . . . . .
C49A C 0.68733(11) 0.20943(11) 0.27014(7) 0.0230(4) Uani 1 1 d . . . . .
H49A H 0.638888 0.226602 0.266015 0.028 Uiso 1 1 calc R U . . .
C50A C 0.70640(11) 0.14118(11) 0.25872(7) 0.0223(4) Uani 1 1 d . . . . .
C51A C 0.77751(11) 0.11659(11) 0.26495(7) 0.0222(4) Uani 1 1 d . . . . .
H51A H 0.790687 0.069832 0.257531 0.027 Uiso 1 1 calc R U . . .
C52A C 0.83019(10) 0.15852(10) 0.28177(6) 0.0179(3) Uani 1 1 d . . . . .
C53A C 0.71591(12) 0.32718(11) 0.29991(8) 0.0278(4) Uani 1 1 d . . . . .
H53A H 0.749311 0.360119 0.284821 0.042 Uiso 1 1 calc R U . . .
H53B H 0.718656 0.331402 0.331563 0.042 Uiso 1 1 calc R U . . .
H53C H 0.665827 0.337998 0.291433 0.042 Uiso 1 1 calc R U . . .
C54A C 0.65117(13) 0.09488(13) 0.24022(9) 0.0320(5) Uani 1 1 d . . . . .
H54A H 0.612154 0.124029 0.227576 0.048 Uiso 1 1 calc R U . . .
H54B H 0.630281 0.064242 0.263554 0.048 Uiso 1 1 calc R U . . .
H54C H 0.675115 0.066202 0.217480 0.048 Uiso 1 1 calc R U . . .
C55A C 0.90771(11) 0.13172(11) 0.28636(8) 0.0244(4) Uani 1 1 d . . . . .
H55A H 0.911198 0.081981 0.279343 0.037 Uiso 1 1 calc R U . . .
H55B H 0.921876 0.137379 0.316451 0.037 Uiso 1 1 calc R U . . .
H55C H 0.940449 0.158380 0.266284 0.037 Uiso 1 1 calc R U . . .
C56A C 0.89963(10) 0.31715(10) 0.28490(6) 0.0164(3) Uani 1 1 d . . . . .
C57A C 0.94406(10) 0.36741(10) 0.30130(6) 0.0176(3) Uani 1 1 d . . . . .
H57A H 0.970518 0.395031 0.279993 0.021 Uiso 1 1 calc R U . . .
C58A C 0.95494(10) 0.38263(10) 0.34473(6) 0.0168(3) Uani 1 1 d . . . . .
C59A C 0.89435(12) 0.31362(11) 0.23655(6) 0.0223(4) Uani 1 1 d . . . . .
H59A H 0.927356 0.347434 0.221967 0.034 Uiso 1 1 calc R U . . .
H59B H 0.844023 0.324885 0.228700 0.034 Uiso 1 1 calc R U . . .
H59C H 0.908200 0.266241 0.227261 0.034 Uiso 1 1 calc R U . . .
C60A C 1.00064(12) 0.44409(11) 0.35387(7) 0.0227(4) Uani 1 1 d . . . . .
H60A H 1.025581 0.460790 0.326685 0.034 Uiso 1 1 calc R U . . .
H60B H 1.037016 0.429727 0.375067 0.034 Uiso 1 1 calc R U . . .
H60C H 0.969152 0.481857 0.365815 0.034 Uiso 1 1 calc R U . . .
C61A C 0.93444(10) 0.36753(9) 0.42307(6) 0.0154(3) Uani 1 1 d . . . . .
C62A C 0.88194(10) 0.41373(10) 0.44150(6) 0.0178(3) Uani 1 1 d . . . . .
C63A C 0.89125(11) 0.43455(11) 0.48413(6) 0.0206(4) Uani 1 1 d . . . . .
H63A H 0.856185 0.465804 0.497353 0.025 Uiso 1 1 calc R U . . .
C64A C 0.95065(11) 0.41063(10) 0.50771(6) 0.0196(3) Uani 1 1 d . . . . .
C65A C 1.00141(11) 0.36445(11) 0.48813(6) 0.0203(4) Uani 1 1 d . . . . .
H65A H 1.041826 0.347689 0.504152 0.024 Uiso 1 1 calc R U . . .
C66A C 0.99473(10) 0.34213(10) 0.44583(6) 0.0180(3) Uani 1 1 d . . . . .
C67A C 0.81832(12) 0.44136(12) 0.41600(7) 0.0246(4) Uani 1 1 d . . . . .
H67A H 0.836615 0.465242 0.389067 0.037 Uiso 1 1 calc R U . . .
H67B H 0.788907 0.474522 0.433681 0.037 Uiso 1 1 calc R U . . .
H67C H 0.788063 0.402276 0.408662 0.037 Uiso 1 1 calc R U . . .
C68A C 0.96067(13) 0.43637(12) 0.55296(7) 0.0267(4) Uani 1 1 d . . . . .
H68A H 0.997141 0.473044 0.551527 0.040 Uiso 1 1 calc R U . . .
H68B H 0.977361 0.397270 0.571813 0.040 Uiso 1 1 calc R U . . .
H68C H 0.914034 0.455516 0.564947 0.040 Uiso 1 1 calc R U . . .
C69A C 1.05152(12) 0.29349(12) 0.42486(7) 0.0248(4) Uani 1 1 d . . . . .
H69A H 1.027745 0.252051 0.414707 0.037 Uiso 1 1 calc R U . . .
H69B H 1.087455 0.278948 0.446288 0.037 Uiso 1 1 calc R U . . .
H69C H 1.076223 0.317878 0.399978 0.037 Uiso 1 1 calc R U . . .
C70A C 0.91899(10) 0.08728(9) 0.43177(6) 0.0159(3) Uani 1 1 d . . . . .
C71A C 0.97757(10) 0.11508(10) 0.45257(6) 0.0169(3) Uani 1 1 d . . . . .
C72A C 1.04809(10) 0.09811(10) 0.43647(6) 0.0184(3) Uani 1 1 d . . . . .
H72A H 1.088603 0.117080 0.449804 0.022 Uiso 1 1 calc R U . . .
C73A C 1.06085(11) 0.05403(10) 0.40129(6) 0.0203(4) Uani 1 1 d . . . . .
C74A C 1.00091(12) 0.02628(11) 0.38223(7) 0.0228(4) Uani 1 1 d . . . . .
H74A H 1.009034 -0.004541 0.358666 0.027 Uiso 1 1 calc R U . . .
C75A C 0.92948(11) 0.04242(11) 0.39673(6) 0.0206(4) Uani 1 1 d . . . . .
C76A C 0.96516(12) 0.16126(12) 0.49140(7) 0.0241(4) Uani 1 1 d . . . . .
H76A H 0.938260 0.204113 0.482584 0.036 Uiso 1 1 calc R U . . .
H76B H 1.012398 0.173566 0.502338 0.036 Uiso 1 1 calc R U . . .
H76C H 0.936770 0.136101 0.514495 0.036 Uiso 1 1 calc R U . . .
C77A C 1.13718(12) 0.03624(13) 0.38435(8) 0.0286(4) Uani 1 1 d . . . . .
H77A H 1.138738 0.036915 0.352345 0.043 Uiso 1 1 calc R U . . .
H77B H 1.151790 -0.010584 0.395391 0.043 Uiso 1 1 calc R U . . .
H77C H 1.170817 0.070777 0.394265 0.043 Uiso 1 1 calc R U . . .
C78A C 0.86585(13) 0.01179(13) 0.37513(8) 0.0301(5) Uani 1 1 d . . . . .
H78A H 0.835110 0.049801 0.363019 0.045 Uiso 1 1 calc R U . . .
H78B H 0.836926 -0.015896 0.396759 0.045 Uiso 1 1 calc R U . . .
H78C H 0.884178 -0.018429 0.351567 0.045 Uiso 1 1 calc R U . . .
C79A C 0.80558(11) 0.06899(10) 0.47504(6) 0.0186(3) Uani 1 1 d . . . . .
C80A C 0.73359(11) 0.08581(10) 0.48780(6) 0.0202(4) Uani 1 1 d . . . . .
H80A H 0.711664 0.055007 0.509231 0.024 Uiso 1 1 calc R U . . .
C81A C 0.68881(10) 0.14186(10) 0.47348(6) 0.0181(3) Uani 1 1 d . . . . .
C82A C 0.84112(13) 0.00449(11) 0.49461(8) 0.0267(4) Uani 1 1 d . . . . .
H82A H 0.855530 -0.027963 0.471421 0.040 Uiso 1 1 calc R U . . .
H82B H 0.806572 -0.018252 0.515533 0.040 Uiso 1 1 calc R U . . .
H82C H 0.884525 0.017492 0.509677 0.040 Uiso 1 1 calc R U . . .
C83A C 0.61207(12) 0.14709(12) 0.49224(8) 0.0270(4) Uani 1 1 d . . . . .
H83A H 0.579132 0.125731 0.472512 0.041 Uiso 1 1 calc R U . . .
H83B H 0.597802 0.196531 0.495723 0.041 Uiso 1 1 calc R U . . .
H83C H 0.609013 0.122431 0.520774 0.041 Uiso 1 1 calc R U . . .
C84A C 0.66252(10) 0.24472(10) 0.42681(6) 0.0159(3) Uani 1 1 d . . . . .
C85A C 0.61880(10) 0.22845(10) 0.39241(6) 0.0184(3) Uani 1 1 d . . . . .
C86A C 0.57278(11) 0.28121(11) 0.37611(7) 0.0211(4) Uani 1 1 d . . . . .
H86A H 0.541763 0.270897 0.353317 0.025 Uiso 1 1 calc R U . . .
C87A C 0.57076(11) 0.34875(11) 0.39218(7) 0.0217(4) Uani 1 1 d . . . . .
C88A C 0.61611(11) 0.36298(10) 0.42582(7) 0.0213(4) Uani 1 1 d . . . . .
H88A H 0.615780 0.409085 0.436622 0.026 Uiso 1 1 calc R U . . .
C89A C 0.66180(11) 0.31182(10) 0.44406(6) 0.0185(3) Uani 1 1 d . . . . .
C90A C 0.61977(13) 0.15614(11) 0.37425(8) 0.0273(4) Uani 1 1 d . . . . .
H90A H 0.588197 0.155952 0.349323 0.041 Uiso 1 1 calc R U . . .
H90B H 0.601881 0.122670 0.396916 0.041 Uiso 1 1 calc R U . . .
H90C H 0.669857 0.142688 0.364684 0.041 Uiso 1 1 calc R U . . .
C91A C 0.51997(14) 0.40427(13) 0.37354(9) 0.0353(5) Uani 1 1 d . . . . .
H91A H 0.548214 0.444750 0.362993 0.053 Uiso 1 1 calc R U . . .
H91B H 0.483891 0.418945 0.396283 0.053 Uiso 1 1 calc R U . . .
H91C H 0.494761 0.385231 0.349224 0.053 Uiso 1 1 calc R U . . .
C92A C 0.70659(13) 0.32689(12) 0.48259(7) 0.0271(4) Uani 1 1 d . . . . .
H92A H 0.758260 0.315963 0.475400 0.041 Uiso 1 1 calc R U . . .
H92B H 0.690022 0.297940 0.507921 0.041 Uiso 1 1 calc R U . . .
H92C H 0.700579 0.376560 0.489477 0.041 Uiso 1 1 calc R U . . .
O1_1 O 0.30954(19) 0.21633(18) 0.16570(9) 0.0207(4) Uani 0.910(2) 1 d D U P A 1
C1_1 C 0.30343(14) 0.17862(13) 0.12970(8) 0.0236(4) Uani 0.910(2) 1 d D U P A 1
C2_1 C 0.3063(2) 0.23066(14) 0.08894(9) 0.0439(7) Uani 0.910(2) 1 d D U P A 1
F1_1 F 0.2640(2) 0.28692(13) 0.09690(10) 0.0631(10) Uani 0.910(2) 1 d D U P A 1
F2_1 F 0.28432(17) 0.20050(10) 0.05321(6) 0.0530(6) Uani 0.910(2) 1 d D U P A 1
F3_1 F 0.37431(15) 0.25111(10) 0.07938(6) 0.0579(6) Uani 0.910(2) 1 d D U P A 1
C3_1 C 0.36752(15) 0.12472(13) 0.12426(8) 0.0268(5) Uani 0.910(2) 1 d D U P A 1
F4_1 F 0.35737(10) 0.07037(8) 0.15173(5) 0.0323(4) Uani 0.910(2) 1 d D U P A 1
F5_1 F 0.43037(10) 0.15193(12) 0.13314(7) 0.0429(5) Uani 0.910(2) 1 d D U P A 1
F6_1 F 0.37490(15) 0.09857(15) 0.08405(9) 0.0369(6) Uani 0.910(2) 1 d D U P A 1
C4_1 C 0.22999(15) 0.13954(16) 0.13176(10) 0.0356(6) Uani 0.910(2) 1 d D U P A
1
F7_1 F 0.21715(12) 0.11103(12) 0.17119(7) 0.0451(5) Uani 0.910(2) 1 d D U P A 1
F8_1 F 0.22949(16) 0.08826(16) 0.10271(8) 0.0437(6) Uani 0.910(2) 1 d D U P A 1
F9_1 F 0.17446(11) 0.18393(13) 0.12300(8) 0.0617(7) Uani 0.910(2) 1 d D U P A 1
O1_2 O 0.23152(7) 0.21648(7) 0.24986(5) 0.0202(3) Uani 1 1 d D U . B 1
C1_2 C 0.17204(10) 0.25511(10) 0.26256(7) 0.0213(4) Uani 1 1 d D U . B 1
C2_2 C 0.12111(13) 0.20730(14) 0.29273(11) 0.0414(6) Uani 1 1 d D U . B 1
F1_2 F 0.11658(9) 0.14486(8) 0.27617(7) 0.0523(5) Uani 1 1 d D U . B 1
F2_2 F 0.05276(8) 0.23527(9) 0.29699(8) 0.0532(5) Uani 1 1 d D U . B 1
F3_2 F 0.14822(10) 0.19938(10) 0.33292(6) 0.0534(5) Uani 1 1 d D U . B 1
C3_2 C 0.19285(13) 0.31782(13) 0.29016(9) 0.0344(5) Uani 1 1 d D U . B 1
F4_2 F 0.21860(9) 0.37001(8) 0.26381(7) 0.0526(5) Uani 1 1 d D U . B 1
F5_2 F 0.24456(9) 0.29986(10) 0.31702(6) 0.0452(4) Uani 1 1 d D U . B 1
F6_2 F 0.13520(8) 0.34380(9) 0.31383(6) 0.0434(4) Uani 1 1 d D U . B 1
C4_2 C 0.13016(15) 0.28326(16) 0.22278(9) 0.0429(6) Uani 1 1 d D U . B 1
F7_2 F 0.17633(11) 0.30774(11) 0.19168(6) 0.0560(5) Uani 1 1 d D U . B 1
F8_2 F 0.08220(10) 0.33586(10) 0.23278(6) 0.0496(4) Uani 1 1 d D U . B 1
F9_2 F 0.09320(11) 0.23033(13) 0.20668(7) 0.0687(7) Uani 1 1 d D U . B 1
O1_3 O 0.36257(7) 0.13824(7) 0.23723(4) 0.0167(2) Uani 1 1 d D U . C 1
C1_3 C 0.37608(10) 0.09045(10) 0.26967(6) 0.0186(3) Uani 1 1 d D U . C 1
C2_3 C 0.30367(13) 0.05850(12) 0.28912(8) 0.0299(5) Uani 1 1 d D U . C 1
F1_3 F 0.27026(8) 0.10233(8) 0.31733(5) 0.0382(3) Uani 1 1 d D U . C 1
F2_3 F 0.31459(10) -0.00281(9) 0.31025(6) 0.0489(4) Uani 1 1 d D U . C 1
F3_3 F 0.25825(8) 0.04861(8) 0.25784(6) 0.0376(3) Uani 1 1 d D U . C 1
C3_3 C 0.42530(12) 0.03053(11) 0.25005(7) 0.0240(4) Uani 1 1 d D U . C 1
F4_3 F 0.47709(7) 0.05645(8) 0.22256(4) 0.0296(3) Uani 1 1 d D U . C 1
F5_3 F 0.38653(8) -0.01238(7) 0.22729(4) 0.0292(3) Uani 1 1 d D U . C 1
F6_3 F 0.45826(9) -0.00895(8) 0.28056(5) 0.0395(4) Uani 1 1 d D U . C 1
C4_3 C 0.41611(13) 0.12410(13) 0.30669(7) 0.0308(5) Uani 1 1 d D U . C 1
F7_3 F 0.48601(8) 0.13451(10) 0.29471(6) 0.0463(4) Uani 1 1 d D U . C 1
F8_3 F 0.41476(11) 0.08432(10) 0.34341(5) 0.0501(5) Uani 1 1 d D U . C 1
F9_3 F 0.38590(9) 0.18657(8) 0.31603(5) 0.0345(3) Uani 1 1 d D U . C 1
O1_4 O 0.3612(3) 0.2892(3) 0.2345(2) 0.0170(7) Uani 0.804(4) 1 d D U P A 1
C1_4 C 0.41732(16) 0.33144(16) 0.22325(9) 0.0191(5) Uani 0.804(4) 1 d D U P A 1
C2_4 C 0.4046(2) 0.4007(2) 0.24879(12) 0.0260(6) Uani 0.804(4) 1 d D U P A 1
F1_4 F 0.35238(17) 0.44109(15) 0.23133(10) 0.0367(6) Uani 0.804(4) 1 d D U P A
1
F2_4 F 0.4653(3) 0.4387(3) 0.2489(2) 0.0388(9) Uani 0.804(4) 1 d D U P A 1
F3_4 F 0.3841(3) 0.3869(2) 0.29025(11) 0.0302(7) Uani 0.804(4) 1 d D U P A 1
C3_4 C 0.49140(15) 0.29589(17) 0.23628(11) 0.0272(6) Uani 0.804(4) 1 d D U P A
1
F4_4 F 0.49732(11) 0.23108(11) 0.22209(8) 0.0340(5) Uani 0.804(4) 1 d D U P A 1
F5_4 F 0.49502(12) 0.29230(14) 0.27972(8) 0.0375(5) Uani 0.804(4) 1 d D U P A 1
F6_4 F 0.54945(10) 0.33072(13) 0.22062(9) 0.0429(6) Uani 0.804(4) 1 d D U P A 1
C4_4 C 0.42225(17) 0.34975(14) 0.17345(9) 0.0259(5) Uani 0.804(4) 1 d D U P A 1
F7_4 F 0.45144(12) 0.29641(11) 0.15117(6) 0.0315(5) Uani 0.804(4) 1 d D U P A 1
F8_4 F 0.46352(15) 0.40527(11) 0.16385(7) 0.0424(6) Uani 0.804(4) 1 d D U P A 1
F9_4 F 0.35597(14) 0.36368(10) 0.15890(6) 0.0331(5) Uani 0.804(4) 1 d D U P A 1
O1_5 O 0.3202(5) 0.2094(5) 0.50857(19) 0.0223(13) Uani 0.689(4) 1 d D U P D 1
C1_5 C 0.3391(2) 0.2042(2) 0.46583(17) 0.0170(7) Uani 0.689(4) 1 d D U P D 1
C2_5 C 0.3818(2) 0.2684(2) 0.44744(10) 0.0342(7) Uani 0.689(4) 1 d D U P D 1
F1_5 F 0.3500(4) 0.3283(3) 0.4595(2) 0.0494(14) Uani 0.689(4) 1 d D U P D 1
F2_5 F 0.3880(2) 0.2698(2) 0.40388(8) 0.0533(9) Uani 0.689(4) 1 d D U P D 1
F3_5 F 0.4490(3) 0.2674(2) 0.46109(17) 0.0453(10) Uani 0.689(4) 1 d D U P D 1
C3_5 C 0.3910(2) 0.1376(2) 0.46111(11) 0.0345(7) Uani 0.689(4) 1 d D U P D 1
F4_5 F 0.3524(2) 0.07998(14) 0.46477(10) 0.0474(7) Uani 0.689(4) 1 d D U P D 1
F5_5 F 0.4383(4) 0.1354(3) 0.49280(18) 0.0424(11) Uani 0.689(4) 1 d D U P D 1
F6_5 F 0.4288(2) 0.1364(2) 0.42371(11) 0.0526(9) Uani 0.689(4) 1 d D U P D 1
C4_5 C 0.27067(17) 0.19519(19) 0.43932(10) 0.0276(6) Uani 0.689(4) 1 d D U P D
1
F7_5 F 0.2252(2) 0.1485(3) 0.4615(2) 0.0323(8) Uani 0.689(4) 1 d D U P D 1
F8_5 F 0.2863(3) 0.1692(3) 0.39993(11) 0.0378(9) Uani 0.689(4) 1 d D U P D 1
F9_5 F 0.23439(15) 0.25542(18) 0.43389(10) 0.0407(7) Uani 0.689(4) 1 d D U P D
1
O1_6 O 0.26286(9) 0.24268(10) 0.59247(6) 0.0166(4) Uani 0.9116(17) 1 d D U P D
1
C1_6 C 0.19429(11) 0.27010(12) 0.59516(7) 0.0187(4) Uani 0.9116(17) 1 d D U P D
1
C2_6 C 0.19237(15) 0.34871(14) 0.58051(10) 0.0355(6) Uani 0.9116(17) 1 d D U P
D 1
F1_6 F 0.21670(12) 0.38738(10) 0.61287(9) 0.0612(7) Uani 0.9116(17) 1 d D U P D
1
F2_6 F 0.12570(11) 0.37335(10) 0.57164(7) 0.0420(5) Uani 0.9116(17) 1 d D U P D
1
F3_6 F 0.23603(10) 0.35920(10) 0.54580(7) 0.0469(5) Uani 0.9116(17) 1 d D U P D
1
C3_6 C 0.14321(14) 0.22980(16) 0.56643(10) 0.0353(6) Uani 0.9116(17) 1 d D U P
D 1
F4_6 F 0.15797(11) 0.16188(10) 0.56799(9) 0.0534(6) Uani 0.9116(17) 1 d D U P D
1
F5_6 F 0.15340(10) 0.25107(13) 0.52429(6) 0.0487(5) Uani 0.9116(17) 1 d D U P D
1
F6_6 F 0.07256(8) 0.24055(11) 0.57739(7) 0.0455(5) Uani 0.9116(17) 1 d D U P D
1
C4_6 C 0.16546(16) 0.2637(2) 0.64358(9) 0.0453(7) Uani 0.9116(17) 1 d D U P D 1
F7_6 F 0.14631(12) 0.19680(15) 0.65328(9) 0.0681(7) Uani 0.9116(17) 1 d D U P D
1
F8_6 F 0.10693(11) 0.30542(14) 0.65157(6) 0.0596(6) Uani 0.9116(17) 1 d D U P D
1
F9_6 F 0.21618(12) 0.27917(14) 0.67051(6) 0.0565(6) Uani 0.9116(17) 1 d D U P D
1
O1_7 O 0.3937(4) 0.1663(3) 0.5851(2) 0.0161(7) Uani 0.742(2) 1 d D U P D 1
C1_7 C 0.39107(19) 0.1044(2) 0.60752(12) 0.0177(5) Uani 0.742(2) 1 d D U P D 1
C2_7 C 0.34842(16) 0.04960(14) 0.58293(10) 0.0259(5) Uani 0.742(2) 1 d D U P D
1
F1_7 F 0.2898(2) 0.0793(2) 0.56516(11) 0.0304(7) Uani 0.742(2) 1 d D U P D 1
F2_7 F 0.32516(18) -0.00400(13) 0.60870(10) 0.0362(7) Uani 0.742(2) 1 d D U P D
1
F3_7 F 0.38928(14) 0.02202(13) 0.55035(9) 0.0369(5) Uani 0.742(2) 1 d D U P D 1
C3_7 C 0.47117(16) 0.07664(15) 0.61269(10) 0.0260(5) Uani 0.742(2) 1 d D U P D
1
F4_7 F 0.50353(15) 0.11228(16) 0.64252(10) 0.0369(6) Uani 0.742(2) 1 d D U P D
1
F5_7 F 0.5103(3) 0.0843(4) 0.5759(2) 0.0342(10) Uani 0.742(2) 1 d D U P D 1
F6_7 F 0.4737(2) 0.00872(15) 0.62489(11) 0.0344(7) Uani 0.742(2) 1 d D U P D 1
C4_7 C 0.35327(18) 0.11325(16) 0.65364(10) 0.0295(6) Uani 0.742(2) 1 d D U P D
1
F7_7 F 0.3716(2) 0.1718(2) 0.67109(18) 0.0382(9) Uani 0.742(2) 1 d D U P D 1
F8_7 F 0.37117(17) 0.06009(17) 0.68133(9) 0.0424(7) Uani 0.742(2) 1 d D U P D 1
F9_7 F 0.28109(16) 0.11525(18) 0.65205(10) 0.0372(7) Uani 0.742(2) 1 d D U P D
1
O1_8 O 0.3939(2) 0.30615(19) 0.55453(16) 0.0153(6) Uani 0.800(2) 1 d D U P D 1
C1_8 C 0.44208(16) 0.34752(16) 0.57237(9) 0.0164(5) Uani 0.800(2) 1 d D U P D 1
C2_8 C 0.50954(18) 0.30427(16) 0.58818(13) 0.0367(7) Uani 0.800(2) 1 d D U P D
1
F1_8 F 0.49284(15) 0.27050(13) 0.62582(10) 0.0533(7) Uani 0.800(2) 1 d D U P D
1
F2_8 F 0.56630(16) 0.34484(18) 0.59447(11) 0.0450(8) Uani 0.800(2) 1 d D U P D
1
F3_8 F 0.5304(2) 0.25757(16) 0.55874(14) 0.0582(10) Uani 0.800(2) 1 d D U P D 1
C3_8 C 0.46576(19) 0.40422(17) 0.53756(10) 0.0248(6) Uani 0.800(2) 1 d D U P D
1
F4_8 F 0.4097(2) 0.43001(17) 0.51591(11) 0.0405(8) Uani 0.800(2) 1 d D U P D 1
F5_8 F 0.51428(18) 0.37701(15) 0.50871(10) 0.0499(8) Uani 0.800(2) 1 d D U P D
1
F6_8 F 0.4984(3) 0.4578(3) 0.5550(2) 0.0312(10) Uani 0.800(2) 1 d D U P D 1
C4_8 C 0.40505(17) 0.38625(16) 0.61215(9) 0.0298(6) Uani 0.800(2) 1 d D U P D 1
F7_8 F 0.36176(12) 0.43869(12) 0.59898(9) 0.0447(5) Uani 0.800(2) 1 d D U P D 1
F8_8 F 0.45389(15) 0.41249(14) 0.63795(9) 0.0415(7) Uani 0.800(2) 1 d D U P D 1
F9_8 F 0.3642(2) 0.3413(2) 0.63635(13) 0.0447(10) Uani 0.800(2) 1 d D U P D 1
O1_9 O -0.20655(8) 0.23294(8) 0.66645(4) 0.0188(3) Uani 1 1 d D U . E 1
C1_9 C -0.18497(11) 0.24421(11) 0.62431(6) 0.0212(4) Uani 1 1 d D U . E 1
C2_9 C -0.10206(13) 0.22642(15) 0.61667(8) 0.0348(5) Uani 1 1 d D U . E 1
F1_9 F -0.06458(8) 0.24904(12) 0.64859(5) 0.0502(5) Uani 1 1 d D U . E 1
F2_9 F -0.07508(8) 0.25301(10) 0.57867(5) 0.0432(4) Uani 1 1 d D U . E 1
F3_9 F -0.09026(9) 0.15667(10) 0.61621(6) 0.0487(4) Uani 1 1 d D U . E 1
C3_9 C -0.22904(13) 0.19606(13) 0.59562(7) 0.0305(5) Uani 1 1 d D U . E 1
F4_9 F -0.29710(8) 0.22121(10) 0.59103(5) 0.0417(4) Uani 1 1 d D U . E 1
F5_9 F -0.23476(10) 0.13249(9) 0.61332(6) 0.0448(4) Uani 1 1 d D U . E 1
F6_9 F -0.19870(9) 0.19145(10) 0.55495(5) 0.0439(4) Uani 1 1 d D U . E 1
C4_9 C -0.20102(15) 0.32199(13) 0.60982(7) 0.0321(5) Uani 1 1 d D U . E 1
F7_9 F -0.26505(10) 0.34394(9) 0.62533(6) 0.0487(4) Uani 1 1 d D U . E 1
F8_9 F -0.19751(10) 0.33254(9) 0.56653(5) 0.0426(4) Uani 1 1 d D U . E 1
F9_9 F -0.15066(11) 0.36313(9) 0.62527(5) 0.0488(4) Uani 1 1 d D U . E 1
O1_10 O -0.27935(7) 0.24807(8) 0.74801(5) 0.0199(3) Uani 1 1 d D U . F 1
C1_10 C -0.35170(10) 0.26273(11) 0.74759(7) 0.0221(4) Uani 1 1 d D U . F 1
C2_10 C -0.38733(12) 0.22408(14) 0.71034(7) 0.0308(5) Uani 1 1 d D U . F 1
F1_10 F -0.37436(8) 0.25708(10) 0.67198(5) 0.0401(4) Uani 1 1 d D U . F 1
F2_10 F -0.45994(8) 0.21973(11) 0.71665(5) 0.0459(4) Uani 1 1 d D U . F 1
F3_10 F -0.35950(9) 0.15936(9) 0.70711(5) 0.0404(4) Uani 1 1 d D U . F 1
C3_10 C -0.38706(11) 0.23665(13) 0.79236(7) 0.0272(4) Uani 1 1 d D U . F 1
F4_10 F -0.34707(8) 0.25372(9) 0.82517(4) 0.0353(3) Uani 1 1 d D U . F 1
F5_10 F -0.39297(8) 0.16731(8) 0.79361(5) 0.0357(3) Uani 1 1 d D U . F 1
F6_10 F -0.45463(7) 0.26408(9) 0.79999(5) 0.0367(3) Uani 1 1 d D U . F 1
C4_10 C -0.36702(13) 0.34306(13) 0.74163(8) 0.0332(5) Uani 1 1 d D U . F 1
F7_10 F -0.35740(10) 0.37588(9) 0.77836(6) 0.0459(4) Uani 1 1 d D U . F 1
F8_10 F -0.43558(8) 0.35806(10) 0.72987(6) 0.0472(4) Uani 1 1 d D U . F 1
F9_10 F -0.32191(8) 0.37028(8) 0.71082(5) 0.0380(3) Uani 1 1 d D U . F 1
O1_11 O -0.13590(7) 0.19402(7) 0.74646(5) 0.0184(3) Uani 1 1 d D U . G 1
C1_11 C -0.12342(10) 0.12913(10) 0.76442(6) 0.0175(3) Uani 1 1 d D U . G 1
C2_11 C -0.05293(12) 0.13140(12) 0.79080(8) 0.0273(4) Uani 1 1 d D U . G 1
F1_11 F -0.00213(7) 0.16844(8) 0.76912(6) 0.0369(3) Uani 1 1 d D U . G 1
F2_11 F -0.02407(8) 0.06705(8) 0.79863(6) 0.0396(4) Uani 1 1 d D U . G 1
F3_11 F -0.06645(9) 0.16121(9) 0.82924(5) 0.0397(4) Uani 1 1 d D U . G 1
C3_11 C -0.18820(12) 0.10677(11) 0.79584(7) 0.0251(4) Uani 1 1 d D U . G 1
F4_11 F -0.24552(7) 0.09073(8) 0.77324(5) 0.0337(3) Uani 1 1 d D U . G 1
F5_11 F -0.20940(8) 0.15901(8) 0.82138(4) 0.0303(3) Uani 1 1 d D U . G 1
F6_11 F -0.17102(9) 0.05158(8) 0.82129(5) 0.0407(4) Uani 1 1 d D U . G 1
C4_11 C -0.11151(12) 0.07539(12) 0.72769(8) 0.0274(4) Uani 1 1 d D U . G 1
F7_11 F -0.16331(9) 0.08337(8) 0.69877(5) 0.0366(3) Uani 1 1 d D U . G 1
F8_11 F -0.11196(9) 0.00908(7) 0.74206(6) 0.0394(4) Uani 1 1 d D U . G 1
F9_11 F -0.04687(9) 0.08559(9) 0.70619(5) 0.0411(4) Uani 1 1 d D U . G 1
O1_12 O -0.15693(8) 0.33360(8) 0.72242(5) 0.0210(3) Uani 1 1 d D U . H 1
C1_12 C -0.11850(11) 0.37640(11) 0.74616(7) 0.0225(4) Uani 1 1 d D U . H 1
C2_12 C -0.12888(14) 0.36037(13) 0.79630(8) 0.0311(5) Uani 1 1 d D U . H 1
F1_12 F -0.19734(9) 0.34324(10) 0.80653(5) 0.0429(4) Uani 1 1 d D U . H 1
F2_12 F -0.11347(9) 0.41497(8) 0.81996(5) 0.0413(4) Uani 1 1 d D U . H 1
F3_12 F -0.08578(9) 0.30646(8) 0.80867(5) 0.0388(3) Uani 1 1 d D U . H 1
C3_12 C -0.03583(12) 0.36989(12) 0.73240(9) 0.0310(5) Uani 1 1 d D U . H 1
F4_12 F -0.02211(9) 0.39956(8) 0.69289(6) 0.0424(4) Uani 1 1 d D U . H 1
F5_12 F -0.01375(8) 0.30342(8) 0.73042(5) 0.0346(3) Uani 1 1 d D U . H 1
F6_12 F 0.00669(9) 0.40104(9) 0.76035(7) 0.0485(4) Uani 1 1 d D U . H 1
C4_12 C -0.14635(14) 0.45346(12) 0.73633(8) 0.0307(5) Uani 1 1 d D U . H 1
F7_12 F -0.15324(9) 0.46501(8) 0.69403(5) 0.0373(3) Uani 1 1 d D U . H 1
F8_12 F -0.10024(10) 0.50133(8) 0.74952(6) 0.0439(4) Uani 1 1 d D U . H 1
F9_12 F -0.21105(9) 0.46528(8) 0.75653(6) 0.0399(3) Uani 1 1 d D U . H 1
O1_13 O -0.1090(4) 0.1639(2) 1.0900(2) 0.0290(11) Uani 0.604(7) 1 d D U P I 1
C1_13 C -0.1083(3) 0.1017(3) 1.11251(17) 0.0244(8) Uani 0.604(7) 1 d D U P I 1
C2_13 C -0.1863(3) 0.0703(2) 1.11620(19) 0.0346(9) Uani 0.604(7) 1 d D U P I 1
F1_13 F -0.2298(2) 0.1026(2) 1.14429(15) 0.0473(10) Uani 0.604(7) 1 d D U P I 1
F2_13 F -0.18326(18) 0.00175(14) 1.12809(17) 0.0458(10) Uani 0.604(7) 1 d D U P
I 1
F3_13 F -0.21656(16) 0.07440(17) 1.07691(14) 0.0422(9) Uani 0.604(7) 1 d D U P
I 1
C3_13 C -0.0521(4) 0.0497(3) 1.0916(2) 0.0306(10) Uani 0.604(7) 1 d D U P I 1
F4_13 F 0.0085(3) 0.0812(3) 1.07777(17) 0.0424(10) Uani 0.604(7) 1 d D U P I 1
F5_13 F -0.0802(4) 0.0222(3) 1.05650(18) 0.0432(11) Uani 0.604(7) 1 d D U P I 1
F6_13 F -0.0343(3) -0.0043(3) 1.1194(2) 0.0376(10) Uani 0.604(7) 1 d D U P I 1
C4_13 C -0.0839(4) 0.1173(3) 1.15856(16) 0.0414(11) Uani 0.604(7) 1 d D U P I 1
F7_13 F -0.0126(3) 0.1278(2) 1.15891(15) 0.0540(10) Uani 0.604(7) 1 d D U P I 1
F8_13 F -0.0993(3) 0.0640(2) 1.18720(11) 0.0564(11) Uani 0.604(7) 1 d D U P I 1
F9_13 F -0.1201(3) 0.1741(2) 1.17346(13) 0.0556(11) Uani 0.604(7) 1 d D U P I 1
O1_14 O -0.10430(13) 0.30010(13) 1.05474(9) 0.0199(5) Uani 0.635(2) 1 d D U P I
1
C1_14 C -0.0557(2) 0.3426(2) 1.07109(14) 0.0172(6) Uani 0.635(2) 1 d D U P I 1
C2_14 C -0.0897(2) 0.3787(2) 1.11237(12) 0.0300(7) Uani 0.635(2) 1 d D U P I 1
F1_14 F -0.13682(17) 0.43000(16) 1.10218(10) 0.0416(7) Uani 0.635(2) 1 d D U P
I 1
F2_14 F -0.03903(16) 0.40695(14) 1.13632(8) 0.0417(6) Uani 0.635(2) 1 d D U P I
1
F3_14 F -0.12602(15) 0.33261(15) 1.13793(7) 0.0415(6) Uani 0.635(2) 1 d D U P I
1
C3_14 C 0.0154(3) 0.3025(3) 1.0829(2) 0.0398(10) Uani 0.635(2) 1 d D U P I 1
F4_14 F 0.0329(2) 0.2558(2) 1.05253(16) 0.0597(11) Uani 0.635(2) 1 d D U P I 1
F5_14 F 0.00501(19) 0.26784(17) 1.12152(13) 0.0573(9) Uani 0.635(2) 1 d D U P I
1
F6_14 F 0.07194(19) 0.3440(2) 1.08688(16) 0.0530(10) Uani 0.635(2) 1 d D U P I
1
C4_14 C -0.0385(2) 0.4008(2) 1.03569(12) 0.0317(7) Uani 0.635(2) 1 d D U P I 1
F7_14 F 0.00792(19) 0.37575(18) 1.00484(10) 0.0629(9) Uani 0.635(2) 1 d D U P I
1
F8_14 F -0.00607(16) 0.45617(14) 1.05260(10) 0.0360(6) Uani 0.635(2) 1 d D U P
I 1
F9_14 F -0.09835(18) 0.42499(16) 1.01722(10) 0.0486(7) Uani 0.635(2) 1 d D U P
I 1
O1_15 O -0.17901(15) 0.20431(14) 1.00833(7) 0.0256(5) Uani 0.650(2) 1 d D U P I
1
C1_15 C -0.1545(2) 0.1910(2) 0.96745(14) 0.0193(7) Uani 0.650(2) 1 d D U P I 1
C2_15 C -0.0707(2) 0.1945(3) 0.96176(13) 0.0400(8) Uani 0.650(2) 1 d D U P I 1
F1_15 F -0.04833(17) 0.25927(18) 0.95905(10) 0.0637(9) Uani 0.650(2) 1 d D U P
I 1
F2_15 F -0.04295(14) 0.16091(17) 0.92650(9) 0.0489(7) Uani 0.650(2) 1 d D U P I
1
F3_15 F -0.04059(13) 0.16277(19) 0.99669(9) 0.0561(8) Uani 0.650(2) 1 d D U P I
1
C3_15 C -0.1775(2) 0.11607(19) 0.95579(11) 0.0287(6) Uani 0.650(2) 1 d D U P I
1
F4_15 F -0.24677(14) 0.10594(15) 0.96953(9) 0.0440(6) Uani 0.650(2) 1 d D U P I
1
F5_15 F -0.13611(18) 0.06720(13) 0.97565(9) 0.0462(6) Uani 0.650(2) 1 d D U P I
1
F6_15 F -0.17270(13) 0.10550(13) 0.91300(7) 0.0352(5) Uani 0.650(2) 1 d D U P I
1
C4_15 C -0.1906(3) 0.2447(2) 0.93472(14) 0.0378(9) Uani 0.650(2) 1 d D U P I 1
F7_15 F -0.25987(16) 0.23197(15) 0.93022(9) 0.0485(7) Uani 0.650(2) 1 d D U P I
1
F8_15 F -0.1560(2) 0.24520(16) 0.89548(8) 0.0558(8) Uani 0.650(2) 1 d D U P I 1
F9_15 F -0.1851(3) 0.30903(16) 0.95022(12) 0.0589(10) Uani 0.650(2) 1 d D U P I
1
O1_16 O -0.23936(16) 0.23980(17) 1.08880(9) 0.0243(5) Uani 0.705(3) 1 d D U P I
1
C1_16 C -0.30524(19) 0.2716(2) 1.09012(12) 0.0259(5) Uani 0.705(3) 1 d D U P I
1
C2_16 C -0.3668(2) 0.2178(2) 1.09107(14) 0.0386(7) Uani 0.705(3) 1 d D U P I 1
F1_16 F -0.3506(2) 0.16658(19) 1.06357(12) 0.0459(7) Uani 0.705(3) 1 d D U P I
1
F2_16 F -0.43179(12) 0.24484(15) 1.08264(11) 0.0485(6) Uani 0.705(3) 1 d D U P
I 1
F3_16 F -0.37295(17) 0.18642(19) 1.13194(11) 0.0558(7) Uani 0.705(3) 1 d D U P
I 1
C3_16 C -0.3148(2) 0.3193(2) 1.13010(12) 0.0392(6) Uani 0.705(3) 1 d D U P I 1
F4_16 F -0.27635(16) 0.37796(14) 1.12334(9) 0.0461(6) Uani 0.705(3) 1 d D U P I
1
F5_16 F -0.28990(17) 0.28481(16) 1.16542(8) 0.0524(7) Uani 0.705(3) 1 d D U P I
1
F6_16 F -0.38422(14) 0.33889(16) 1.13902(9) 0.0543(7) Uani 0.705(3) 1 d D U P I
1
C4_16 C -0.31558(19) 0.3207(2) 1.04806(11) 0.0318(6) Uani 0.705(3) 1 d D U P I
1
F7_16 F -0.25344(15) 0.35064(18) 1.03680(10) 0.0342(6) Uani 0.705(3) 1 d D U P
I 1
F8_16 F -0.36793(12) 0.37007(13) 1.05441(9) 0.0393(5) Uani 0.705(3) 1 d D U P I
1
F9_16 F -0.33364(14) 0.28333(15) 1.01434(8) 0.0402(6) Uani 0.705(3) 1 d D U P I
1
C1_17 C 0.22331(13) 0.44660(14) 0.43152(10) 0.0378(6) Uani 1 1 d D U . J 1
C2_17 C 0.27632(12) 0.48092(12) 0.45157(8) 0.0270(4) Uani 1 1 d D U . J 1
C3_17 C 0.33339(13) 0.51046(13) 0.42775(9) 0.0331(5) Uani 1 1 d D U . J 1
H3_17 H 0.370016 0.533974 0.442090 0.040 Uiso 1 1 calc R U . J 1
C4_17 C 0.33738(16) 0.50595(16) 0.38324(10) 0.0426(6) Uani 1 1 d D U . J 1
H4_17 H 0.376711 0.526407 0.366538 0.051 Uiso 1 1 calc R U . J 1
C5_17 C 0.28368(17) 0.4713(2) 0.36261(10) 0.0538(8) Uani 1 1 d D U . J 1
H5_17 H 0.286281 0.467932 0.331731 0.065 Uiso 1 1 calc R U . J 1
C6_17 C 0.22627(16) 0.4417(2) 0.38708(11) 0.0542(8) Uani 1 1 d D U . J 1
H6_17 H 0.189256 0.418229 0.373077 0.065 Uiso 1 1 calc R U . J 1
F1_17 F 0.16849(10) 0.41784(11) 0.45638(8) 0.0639(6) Uani 1 1 d D U . J 1
F2_17 F 0.27180(9) 0.48646(10) 0.49539(5) 0.0438(4) Uani 1 1 d D U . J 1
C1_18 C -0.28862(15) 0.47354(19) 0.88341(11) 0.0499(8) Uani 1 1 d D U . K 1
C2_18 C -0.28037(14) 0.44900(15) 0.92551(12) 0.0449(7) Uani 1 1 d D U . K 1
C3_18 C -0.22153(15) 0.46804(15) 0.94811(11) 0.0424(6) Uani 1 1 d D U . K 1
H3_18 H -0.215583 0.451082 0.977231 0.051 Uiso 1 1 calc R U . K 1
C4_18 C -0.17113(15) 0.51220(15) 0.92789(10) 0.0407(6) Uani 1 1 d D U . K 1
H4_18 H -0.129897 0.525189 0.943162 0.049 Uiso 1 1 calc R U . K 1
C5_18 C -0.17983(16) 0.53768(18) 0.88588(11) 0.0476(7) Uani 1 1 d D U . K 1
H5_18 H -0.144972 0.568528 0.872573 0.057 Uiso 1 1 calc R U . K 1
C6_18 C -0.23906(16) 0.5186(2) 0.86292(10) 0.0548(8) Uani 1 1 d D U . K 1
H6_18 H -0.245508 0.535977 0.833923 0.066 Uiso 1 1 calc R U . K 1
F1_18 F -0.34733(11) 0.45452(16) 0.86206(9) 0.0868(9) Uani 1 1 d D U . K 1
F2_18 F -0.33103(11) 0.40719(12) 0.94526(10) 0.0769(7) Uani 1 1 d D U . K 1
C1_19 C -0.28436(16) 0.48322(14) 1.22583(9) 0.0310(5) Uani 0.943(3) 1 d D U P L
1
C2_19 C -0.30076(17) 0.50427(14) 1.26774(9) 0.0333(5) Uani 0.943(3) 1 d D U P L
1
C3_19 C -0.24624(19) 0.52519(15) 1.29381(10) 0.0389(6) Uani 0.943(3) 1 d D U P
L 1
H3_19 H -0.257446 0.539652 1.322780 0.047 Uiso 0.943(3) 1 calc R U P L 1
C4_19 C -0.17535(18) 0.52456(16) 1.27677(11) 0.0422(7) Uani 0.943(3) 1 d D U P
L 1
H4_19 H -0.137279 0.539067 1.294152 0.051 Uiso 0.943(3) 1 calc R U P L 1
C5_19 C -0.15873(18) 0.50308(15) 1.23467(11) 0.0401(6) Uani 0.943(3) 1 d D U P
L 1
H5_19 H -0.109475 0.502523 1.223503 0.048 Uiso 0.943(3) 1 calc R U P L 1
C6_19 C -0.21370(16) 0.48243(15) 1.20881(10) 0.0347(6) Uani 0.943(3) 1 d D U P
L 1
H6_19 H -0.202731 0.467968 1.179820 0.042 Uiso 0.943(3) 1 calc R U P L 1
F1_19 F -0.33909(10) 0.46268(10) 1.20170(7) 0.0466(5) Uani 0.943(3) 1 d D U P L
1
F2_19 F -0.37074(11) 0.50307(10) 1.28332(6) 0.0469(5) Uani 0.943(3) 1 d D U P L
1
O1_20 O -0.1391(3) 0.2151(4) 1.00827(16) 0.0419(13) Uani 0.350(2) 1 d D U P I 2
C1_20 C -0.1519(5) 0.1838(5) 0.9708(3) 0.0353(14) Uani 0.350(2) 1 d D U P I 2
C2_20 C -0.0818(4) 0.1410(5) 0.9557(3) 0.0561(15) Uani 0.350(2) 1 d D U P I 2
F1_20 F -0.0228(3) 0.1800(4) 0.9595(2) 0.0741(17) Uani 0.350(2) 1 d D U P I 2
F2_20 F -0.0745(4) 0.0841(4) 0.9800(2) 0.0801(19) Uani 0.350(2) 1 d D U P I 2
F3_20 F -0.0853(4) 0.1211(4) 0.91468(18) 0.0741(18) Uani 0.350(2) 1 d D U P I 2
C3_20 C -0.2151(4) 0.1323(4) 0.9778(2) 0.0457(14) Uani 0.350(2) 1 d D U P I 2
F4_20 F -0.2787(3) 0.1697(3) 0.9781(2) 0.0667(16) Uani 0.350(2) 1 d D U P I 2
F5_20 F -0.2136(3) 0.0968(3) 1.01530(17) 0.0555(13) Uani 0.350(2) 1 d D U P I 2
F6_20 F -0.2167(4) 0.0862(3) 0.94590(19) 0.0615(15) Uani 0.350(2) 1 d D U P I 2
C4_20 C -0.1686(5) 0.2408(5) 0.9358(3) 0.0496(17) Uani 0.350(2) 1 d D U P I 2
F7_20 F -0.1992(4) 0.2122(4) 0.9012(2) 0.0704(17) Uani 0.350(2) 1 d D U P I 2
F8_20 F -0.2174(4) 0.2889(4) 0.9512(3) 0.072(2) Uani 0.350(2) 1 d D U P I 2
F9_20 F -0.1075(3) 0.2721(4) 0.9217(2) 0.0663(16) Uani 0.350(2) 1 d D U P I 2
O1_21 O -0.1054(7) 0.2921(7) 1.0808(4) 0.0202(18) Uani 0.219(2) 1 d D U P I 2
C1_21 C -0.0501(7) 0.3373(6) 1.0733(3) 0.0249(14) Uani 0.219(2) 1 d D U P I 2
C2_21 C 0.0221(7) 0.2971(7) 1.0856(4) 0.0330(17) Uani 0.219(2) 1 d D U P I 2
F1_21 F 0.0272(5) 0.2917(5) 1.1281(3) 0.0408(17) Uani 0.219(2) 1 d D U P I 2
F2_21 F 0.0802(6) 0.3319(6) 1.0695(4) 0.037(2) Uani 0.219(2) 1 d D U P I 2
F3_21 F 0.0252(6) 0.2332(5) 1.0690(4) 0.0307(19) Uani 0.219(2) 1 d D U P I 2
C3_21 C -0.0423(5) 0.3642(6) 1.0254(3) 0.0392(16) Uani 0.219(2) 1 d D U P I 2
F4_21 F -0.1095(4) 0.3779(5) 1.0098(3) 0.0445(19) Uani 0.219(2) 1 d D U P I 2
F5_21 F -0.0120(5) 0.3168(5) 0.9995(3) 0.0510(18) Uani 0.219(2) 1 d D U P I 2
F6_21 F -0.0030(5) 0.4226(5) 1.0207(3) 0.050(2) Uani 0.219(2) 1 d D U P I 2
C4_21 C -0.0635(5) 0.4001(5) 1.1043(3) 0.0308(15) Uani 0.219(2) 1 d D U P I 2
F7_21 F -0.1142(5) 0.4445(4) 1.0876(4) 0.0427(18) Uani 0.219(2) 1 d D U P I 2
F8_21 F -0.0031(4) 0.4352(4) 1.1086(4) 0.0361(19) Uani 0.219(2) 1 d D U P I 2
F9_21 F -0.0889(6) 0.3744(5) 1.1435(3) 0.038(2) Uani 0.219(2) 1 d D U P I 2
O1_22 O 0.3133(9) 0.2130(10) 0.5075(4) 0.0123(16) Uani 0.311(4) 1 d D U P D 2
C1_22 C 0.3353(5) 0.2073(5) 0.4652(4) 0.0217(14) Uani 0.311(4) 1 d D U P D 2
C2_22 C 0.3150(4) 0.2778(4) 0.4406(2) 0.0359(13) Uani 0.311(4) 1 d D U P D 2
F1_22 F 0.2449(4) 0.2846(4) 0.4359(3) 0.0541(19) Uani 0.311(4) 1 d D U P D 2
F2_22 F 0.3486(4) 0.2821(4) 0.40066(19) 0.0458(15) Uani 0.311(4) 1 d D U P D 2
F3_22 F 0.3350(7) 0.3299(6) 0.4641(4) 0.0324(17) Uani 0.311(4) 1 d D U P D 2
C3_22 C 0.4184(4) 0.1932(4) 0.4581(2) 0.0345(13) Uani 0.311(4) 1 d D U P D 2
F4_22 F 0.4411(10) 0.1436(9) 0.4868(5) 0.054(3) Uani 0.311(4) 1 d D U P D 2
F5_22 F 0.4568(5) 0.2464(5) 0.4666(4) 0.0412(19) Uani 0.311(4) 1 d D U P D 2
F6_22 F 0.4367(4) 0.1705(4) 0.4183(2) 0.0427(16) Uani 0.311(4) 1 d D U P D 2
C4_22 C 0.2919(4) 0.1480(4) 0.4458(2) 0.0318(13) Uani 0.311(4) 1 d D U P D 2
F7_22 F 0.3151(4) 0.0862(3) 0.4599(2) 0.0465(15) Uani 0.311(4) 1 d D U P D 2
F8_22 F 0.2978(7) 0.1481(6) 0.4028(3) 0.044(2) Uani 0.311(4) 1 d D U P D 2
F9_22 F 0.2199(6) 0.1593(9) 0.4571(6) 0.049(3) Uani 0.311(4) 1 d D U P D 2
O1_23 O 0.3904(19) 0.1612(12) 0.5845(10) 0.021(3) Uani 0.185(2) 1 d D U P D 2
C1_23 C 0.3929(6) 0.1015(7) 0.6094(4) 0.0225(15) Uani 0.185(2) 1 d D U P D 2
C2_23 C 0.4481(6) 0.0485(5) 0.5879(3) 0.0279(15) Uani 0.185(2) 1 d D U P D 2
F1_23 F 0.4206(6) 0.0198(6) 0.5540(3) 0.0352(19) Uani 0.185(2) 1 d D U P D 2
F2_23 F 0.4691(9) -0.0036(6) 0.6139(4) 0.030(2) Uani 0.185(2) 1 d D U P D 2
F3_23 F 0.5075(12) 0.0804(16) 0.5712(9) 0.031(3) Uani 0.185(2) 1 d D U P D 2
C3_23 C 0.4170(6) 0.1167(5) 0.6560(3) 0.0275(15) Uani 0.185(2) 1 d D U P D 2
F4_23 F 0.3878(9) 0.1777(8) 0.6689(7) 0.032(3) Uani 0.185(2) 1 d D U P D 2
F5_23 F 0.4875(5) 0.1266(7) 0.6563(4) 0.033(2) Uani 0.185(2) 1 d D U P D 2
F6_23 F 0.4003(6) 0.0657(6) 0.6851(4) 0.035(2) Uani 0.185(2) 1 d D U P D 2
C4_23 C 0.3166(5) 0.0685(5) 0.6132(3) 0.0264(15) Uani 0.185(2) 1 d D U P D 2
F7_23 F 0.2712(6) 0.1017(7) 0.6411(4) 0.027(2) Uani 0.185(2) 1 d D U P D 2
F8_23 F 0.3207(7) 0.0014(5) 0.6255(4) 0.029(2) Uani 0.185(2) 1 d D U P D 2
F9_23 F 0.2831(9) 0.0732(10) 0.5756(4) 0.029(2) Uani 0.185(2) 1 d D U P D 2
O1_24 O -0.2395(4) 0.2232(5) 1.0787(3) 0.0327(14) Uani 0.295(3) 1 d D U P I 2
C1_24 C -0.2961(5) 0.2610(5) 1.0958(3) 0.0413(10) Uani 0.295(3) 1 d D U P I 2
C2_24 C -0.3599(5) 0.2100(5) 1.1063(4) 0.0487(12) Uani 0.295(3) 1 d D U P I 2
F1_24 F -0.4252(3) 0.2442(4) 1.1100(3) 0.0535(14) Uani 0.295(3) 1 d D U P I 2
F2_24 F -0.3471(5) 0.1768(5) 1.1447(3) 0.0645(16) Uani 0.295(3) 1 d D U P I 2
F3_24 F -0.3638(5) 0.1622(5) 1.0770(3) 0.0451(14) Uani 0.295(3) 1 d D U P I 2
C3_24 C -0.2774(5) 0.2971(5) 1.1380(3) 0.0494(11) Uani 0.295(3) 1 d D U P I 2
F4_24 F -0.3382(4) 0.3103(4) 1.1640(2) 0.0653(16) Uani 0.295(3) 1 d D U P I 2
F5_24 F -0.2357(4) 0.2562(4) 1.1626(2) 0.0542(14) Uani 0.295(3) 1 d D U P I 2
F6_24 F -0.2433(4) 0.3580(4) 1.1266(2) 0.0521(13) Uani 0.295(3) 1 d D U P I 2
C4_24 C -0.3215(6) 0.3169(6) 1.0618(4) 0.0571(13) Uani 0.295(3) 1 d D U P I 2
F7_24 F -0.3642(4) 0.3666(4) 1.0810(3) 0.0686(16) Uani 0.295(3) 1 d D U P I 2
F8_24 F -0.2684(6) 0.3575(6) 1.0450(4) 0.0614(19) Uani 0.295(3) 1 d D U P I 2
F9_24 F -0.3568(5) 0.2799(5) 1.0317(3) 0.0745(18) Uani 0.295(3) 1 d D U P I 2
O1_25 O 0.3992(16) 0.2982(15) 0.5566(12) 0.019(3) Uani 0.124(2) 1 d D U P D 2
C1_25 C 0.4475(8) 0.3428(8) 0.5717(4) 0.0215(17) Uani 0.124(2) 1 d D U P D 2
C2_25 C 0.5262(7) 0.3139(7) 0.5606(4) 0.0231(18) Uani 0.124(2) 1 d D U P D 2
F1_25 F 0.5321(11) 0.2461(7) 0.5678(5) 0.019(2) Uani 0.124(2) 1 d D U P D 2
F2_25 F 0.5779(9) 0.3458(11) 0.5801(5) 0.029(3) Uani 0.124(2) 1 d D U P D 2
F3_25 F 0.5448(7) 0.3284(7) 0.5187(3) 0.035(2) Uani 0.124(2) 1 d D U P D 2
C3_25 C 0.4373(7) 0.4173(7) 0.5513(4) 0.0261(18) Uani 0.124(2) 1 d D U P D 2
F4_25 F 0.3775(6) 0.4498(6) 0.5682(4) 0.033(2) Uani 0.124(2) 1 d D U P D 2
F5_25 F 0.4311(9) 0.4132(10) 0.5087(4) 0.025(3) Uani 0.124(2) 1 d D U P D 2
F6_25 F 0.4909(12) 0.4604(13) 0.5592(11) 0.024(3) Uani 0.124(2) 1 d D U P D 2
C4_25 C 0.4352(7) 0.3484(7) 0.6218(4) 0.0228(17) Uani 0.124(2) 1 d D U P D 2
F7_25 F 0.3651(7) 0.3552(11) 0.6348(7) 0.019(3) Uani 0.124(2) 1 d D U P D 2
F8_25 F 0.4773(9) 0.3976(9) 0.6364(7) 0.026(3) Uani 0.124(2) 1 d D U P D 2
F9_25 F 0.4644(8) 0.2898(7) 0.6400(5) 0.030(2) Uani 0.124(2) 1 d D U P D 2
C1_26 C -0.2022(13) 0.5108(15) 1.2802(8) 0.035(3) Uani 0.057(3) 1 d D U P L 2
C2_26 C -0.1868(13) 0.4911(14) 1.2375(8) 0.036(3) Uani 0.057(3) 1 d D U P L 2
C3_26 C -0.2425(16) 0.4732(19) 1.2121(10) 0.034(4) Uani 0.057(3) 1 d D U P L 2
H3_26 H -0.232443 0.459849 1.182793 0.041 Uiso 0.057(3) 1 calc R U P L 2
C4_26 C -0.3129(16) 0.475(2) 1.2294(11) 0.034(4) Uani 0.057(3) 1 d D U P L 2
H4_26 H -0.351584 0.462478 1.211779 0.040 Uiso 0.057(3) 1 calc R U P L 2
C5_26 C -0.3289(15) 0.494(2) 1.2720(12) 0.033(4) Uani 0.057(3) 1 d D U P L 2
H5_26 H -0.377704 0.493635 1.283836 0.040 Uiso 0.057(3) 1 calc R U P L 2
C6_26 C -0.2728(14) 0.514(2) 1.2969(11) 0.033(4) Uani 0.057(3) 1 d D U P L 2
H6_26 H -0.283039 0.529196 1.325706 0.039 Uiso 0.057(3) 1 calc R U P L 2
F1_26 F -0.1469(13) 0.5294(13) 1.3044(8) 0.040(5) Uani 0.057(3) 1 d D U P L 2
F2_26 F -0.1170(13) 0.4907(15) 1.2215(9) 0.043(5) Uani 0.057(3) 1 d D U P L 2
O1_27 O 0.3590(16) 0.2905(15) 0.2343(11) 0.028(3) Uani 0.196(4) 1 d D U P A 2
C1_27 C 0.4049(7) 0.3420(7) 0.2207(4) 0.0328(18) Uani 0.196(4) 1 d D U P A 2
C2_27 C 0.3960(10) 0.4021(9) 0.2539(5) 0.038(2) Uani 0.196(4) 1 d D U P A 2
F1_27 F 0.3371(7) 0.4413(7) 0.2451(5) 0.045(3) Uani 0.196(4) 1 d D U P A 2
F2_27 F 0.4533(11) 0.4441(15) 0.2513(10) 0.044(3) Uani 0.196(4) 1 d D U P A 2
F3_27 F 0.3893(15) 0.3722(10) 0.2937(6) 0.038(3) Uani 0.196(4) 1 d D U P A 2
C3_27 C 0.4843(6) 0.3131(6) 0.2214(4) 0.0399(19) Uani 0.196(4) 1 d D U P A 2
F4_27 F 0.4892(6) 0.2502(5) 0.2034(4) 0.049(2) Uani 0.196(4) 1 d D U P A 2
F5_27 F 0.5061(5) 0.3069(6) 0.2625(4) 0.044(2) Uani 0.196(4) 1 d D U P A 2
F6_27 F 0.5292(5) 0.3551(5) 0.1980(4) 0.052(2) Uani 0.196(4) 1 d D U P A 2
C4_27 C 0.3878(7) 0.3680(6) 0.1736(4) 0.043(2) Uani 0.196(4) 1 d D U P A 2
F7_27 F 0.4182(7) 0.3236(6) 0.1443(3) 0.055(2) Uani 0.196(4) 1 d D U P A 2
F8_27 F 0.4153(7) 0.4314(5) 0.1640(3) 0.056(3) Uani 0.196(4) 1 d D U P A 2
F9_27 F 0.3158(6) 0.3727(5) 0.1693(3) 0.048(2) Uani 0.196(4) 1 d D U P A 2
O1_28 O -0.1100(11) 0.2986(12) 1.0747(8) 0.027(3) Uani 0.146(2) 1 d D U P I 3
C1_28 C -0.0512(8) 0.3399(7) 1.0719(4) 0.0302(17) Uani 0.146(2) 1 d D U P I 3
C2_28 C 0.0190(7) 0.3024(7) 1.0538(4) 0.0352(19) Uani 0.146(2) 1 d D U P I 3
F1_28 F 0.0367(10) 0.2435(8) 1.0755(6) 0.042(3) Uani 0.146(2) 1 d D U P I 3
F2_28 F 0.0766(7) 0.3426(8) 1.0520(5) 0.048(3) Uani 0.146(2) 1 d D U P I 3
F3_28 F 0.0125(6) 0.2838(7) 1.0129(4) 0.045(2) Uani 0.146(2) 1 d D U P I 3
C3_28 C -0.0678(8) 0.4043(7) 1.0415(5) 0.045(2) Uani 0.146(2) 1 d D U P I 3
F4_28 F -0.1218(7) 0.4427(6) 1.0586(5) 0.052(3) Uani 0.146(2) 1 d D U P I 3
F5_28 F -0.0815(10) 0.3859(10) 1.0018(4) 0.064(3) Uani 0.146(2) 1 d D U P I 3
F6_28 F -0.0116(8) 0.4470(9) 1.0348(6) 0.050(3) Uani 0.146(2) 1 d D U P I 3
C4_28 C -0.0353(7) 0.3662(7) 1.1177(4) 0.0362(19) Uani 0.146(2) 1 d D U P I 3
F7_28 F -0.0950(8) 0.3926(9) 1.1381(5) 0.043(3) Uani 0.146(2) 1 d D U P I 3
F8_28 F 0.0105(8) 0.4193(7) 1.1157(5) 0.042(3) Uani 0.146(2) 1 d D U P I 3
F9_28 F -0.0072(8) 0.3158(7) 1.1429(4) 0.057(3) Uani 0.146(2) 1 d D U P I 3
O1_29 O -0.1077(7) 0.1473(4) 1.0834(3) 0.0322(16) Uani 0.396(7) 1 d D U P I 2
C1_29 C -0.0957(5) 0.0956(5) 1.1139(3) 0.0360(14) Uani 0.396(7) 1 d D U P I 2
C2_29 C -0.0486(6) 0.0384(6) 1.0894(4) 0.0397(16) Uani 0.396(7) 1 d D U P I 2
F1_29 F -0.0874(6) 0.0027(5) 1.0630(3) 0.0450(17) Uani 0.396(7) 1 d D U P I 2
F2_29 F -0.0169(6) -0.0061(7) 1.1156(4) 0.055(2) Uani 0.396(7) 1 d D U P I 2
F3_29 F 0.0051(5) 0.0685(5) 1.0660(3) 0.0512(19) Uani 0.396(7) 1 d D U P I 2
C3_29 C -0.0543(6) 0.1193(5) 1.1537(3) 0.0499(16) Uani 0.396(7) 1 d D U P I 2
F4_29 F -0.0829(5) 0.1797(4) 1.1680(3) 0.070(2) Uani 0.396(7) 1 d D U P I 2
F5_29 F 0.0149(4) 0.1299(4) 1.1424(2) 0.0575(15) Uani 0.396(7) 1 d D U P I 2
F6_29 F -0.0553(6) 0.0731(4) 1.1875(2) 0.075(2) Uani 0.396(7) 1 d D U P I 2
C4_29 C -0.1677(5) 0.0621(4) 1.1312(3) 0.0501(16) Uani 0.396(7) 1 d D U P I 2
F7_29 F -0.2030(5) 0.1047(4) 1.1595(3) 0.073(2) Uani 0.396(7) 1 d D U P I 2
F8_29 F -0.1581(4) -0.0004(3) 1.1508(2) 0.0587(17) Uani 0.396(7) 1 d D U P I 2
F9_29 F -0.2120(4) 0.0532(5) 1.0980(3) 0.0729(19) Uani 0.396(7) 1 d D U P I 2
O1_30 O 0.2577(9) 0.2560(13) 0.5823(7) 0.027(3) Uani 0.0884(17) 1 d D U P D 2
C1_30 C 0.1913(8) 0.2458(7) 0.6019(4) 0.034(2) Uani 0.0884(17) 1 d D U P D 2
C2_30 C 0.1470(8) 0.3163(8) 0.6032(5) 0.036(2) Uani 0.0884(17) 1 d D U P D 2
F1_30 F 0.1724(10) 0.3536(9) 0.6353(5) 0.043(3) Uani 0.0884(17) 1 d D U P D 2
F2_30 F 0.0759(7) 0.3065(9) 0.6116(6) 0.039(3) Uani 0.0884(17) 1 d D U P D 2
F3_30 F 0.1543(10) 0.3519(10) 0.5650(5) 0.034(3) Uani 0.0884(17) 1 d D U P D 2
C3_30 C 0.1498(9) 0.1917(9) 0.5765(5) 0.036(2) Uani 0.0884(17) 1 d D U P D 2
F4_30 F 0.1960(9) 0.1408(8) 0.5628(5) 0.037(3) Uani 0.0884(17) 1 d D U P D 2
F5_30 F 0.1234(10) 0.2225(10) 0.5398(5) 0.041(3) Uani 0.0884(17) 1 d D U P D 2
F6_30 F 0.0937(8) 0.1648(9) 0.5989(5) 0.042(3) Uani 0.0884(17) 1 d D U P D 2
C4_30 C 0.1987(9) 0.2155(8) 0.6494(5) 0.036(2) Uani 0.0884(17) 1 d D U P D 2
F7_30 F 0.2173(9) 0.1473(7) 0.6496(5) 0.041(3) Uani 0.0884(17) 1 d D U P D 2
F8_30 F 0.1349(8) 0.2246(11) 0.6718(6) 0.042(3) Uani 0.0884(17) 1 d D U P D 2
F9_30 F 0.2505(8) 0.2480(9) 0.6693(5) 0.035(3) Uani 0.0884(17) 1 d D U P D 2
O1_31 O 0.3709(11) 0.1573(9) 0.5959(7) 0.018(3) Uani 0.0731(13) 1 d D U P D 3
C1_31 C 0.4121(8) 0.0977(8) 0.6017(4) 0.0234(17) Uani 0.0731(13) 1 d D U P D 3
C2_31 C 0.3817(9) 0.0574(8) 0.6429(5) 0.026(2) Uani 0.0731(13) 1 d D U P D 3
F1_31 F 0.3693(10) 0.1011(9) 0.6755(5) 0.028(3) Uani 0.0731(13) 1 d D U P D 3
F2_31 F 0.4283(9) 0.0073(8) 0.6566(6) 0.029(3) Uani 0.0731(13) 1 d D U P D 3
F3_31 F 0.3193(9) 0.0257(10) 0.6359(7) 0.029(3) Uani 0.0731(13) 1 d D U P D 3
C3_31 C 0.4095(9) 0.0517(9) 0.5610(5) 0.029(2) Uani 0.0731(13) 1 d D U P D 3
F4_31 F 0.4484(10) 0.0783(9) 0.5269(5) 0.031(3) Uani 0.0731(13) 1 d D U P D 3
F5_31 F 0.3414(9) 0.0453(10) 0.5484(6) 0.034(3) Uani 0.0731(13) 1 d D U P D 3
F6_31 F 0.4371(11) -0.0125(8) 0.5687(6) 0.033(3) Uani 0.0731(13) 1 d D U P D 3
C4_31 C 0.4926(8) 0.1187(8) 0.6072(5) 0.026(2) Uani 0.0731(13) 1 d D U P D 3
F7_31 F 0.5113(9) 0.1693(8) 0.5781(5) 0.028(3) Uani 0.0731(13) 1 d D U P D 3
F8_31 F 0.5395(9) 0.0651(8) 0.6019(7) 0.032(3) Uani 0.0731(13) 1 d D U P D 3
F9_31 F 0.4999(12) 0.1450(11) 0.6462(6) 0.026(3) Uani 0.0731(13) 1 d D U P D 3
O1_32 O 0.304(2) 0.214(2) 0.1674(10) 0.030(4) Uani 0.090(2) 1 d D U P A 2
C1_32 C 0.2927(9) 0.1759(9) 0.1317(6) 0.036(2) Uani 0.090(2) 1 d D U P A 2
C2_32 C 0.3673(9) 0.1489(10) 0.1126(6) 0.041(3) Uani 0.090(2) 1 d D U P A 2
F1_32 F 0.4055(11) 0.1999(9) 0.0926(6) 0.051(3) Uani 0.090(2) 1 d D U P A 2
F2_32 F 0.3583(18) 0.1017(16) 0.0822(10) 0.043(4) Uani 0.090(2) 1 d D U P A 2
F3_32 F 0.4104(11) 0.1233(10) 0.1431(5) 0.039(3) Uani 0.090(2) 1 d D U P A 2
C3_32 C 0.2460(9) 0.1113(9) 0.1450(6) 0.039(3) Uani 0.090(2) 1 d D U P A 2
F4_32 F 0.1901(10) 0.1302(11) 0.1709(7) 0.043(3) Uani 0.090(2) 1 d D U P A 2
F5_32 F 0.2848(9) 0.0622(8) 0.1657(5) 0.040(3) Uani 0.090(2) 1 d D U P A 2
F6_32 F 0.2183(16) 0.0786(15) 0.1122(7) 0.039(4) Uani 0.090(2) 1 d D U P A 2
C4_32 C 0.2532(10) 0.2236(9) 0.0981(5) 0.041(2) Uani 0.090(2) 1 d D U P A 2
F7_32 F 0.1838(9) 0.2329(11) 0.1122(6) 0.050(3) Uani 0.090(2) 1 d D U P A 2
F8_32 F 0.2417(11) 0.1933(9) 0.0610(5) 0.035(3) Uani 0.090(2) 1 d D U P A 2
F9_32 F 0.2823(16) 0.2855(11) 0.0902(10) 0.042(4) Uani 0.090(2) 1 d D U P A 2
O1_33 O 0.398(2) 0.2946(14) 0.5606(11) 0.022(3) Uani 0.0761(19) 1 d D U P D 3
C1_33 C 0.4237(9) 0.3552(10) 0.5756(5) 0.0257(19) Uani 0.0761(19) 1 d D U P D 3
C2_33 C 0.4769(9) 0.3362(9) 0.6124(5) 0.028(2) Uani 0.0761(19) 1 d D U P D 3
F1_33 F 0.4886(14) 0.3879(11) 0.6387(9) 0.028(3) Uani 0.0761(19) 1 d D U P D 3
F2_33 F 0.4469(13) 0.2860(12) 0.6379(8) 0.036(3) Uani 0.0761(19) 1 d D U P D 3
F3_33 F 0.5420(10) 0.3167(11) 0.5950(6) 0.031(3) Uani 0.0761(19) 1 d D U P D 3
C3_33 C 0.4633(13) 0.3951(13) 0.5373(7) 0.026(2) Uani 0.0761(19) 1 d D U P D 3
F4_33 F 0.4138(17) 0.4159(19) 0.5084(9) 0.022(3) Uani 0.0761(19) 1 d D U P D 3
F5_33 F 0.5130(13) 0.3568(12) 0.5146(8) 0.025(3) Uani 0.0761(19) 1 d D U P D 3
F6_33 F 0.495(2) 0.4529(17) 0.5489(13) 0.028(4) Uani 0.0761(19) 1 d D U P D 3
C4_33 C 0.3582(8) 0.3991(9) 0.5952(5) 0.028(2) Uani 0.0761(19) 1 d D U P D 3
F7_33 F 0.3019(8) 0.4027(8) 0.5692(5) 0.029(3) Uani 0.0761(19) 1 d D U P D 3
F8_33 F 0.3766(11) 0.4647(9) 0.6035(7) 0.033(3) Uani 0.0761(19) 1 d D U P D 3
F9_33 F 0.3343(12) 0.3720(10) 0.6335(6) 0.034(3) Uani 0.0761(19) 1 d D U P D 3


loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ga1 N2 1.8456(16) . ?
Ga1 N1 1.8470(17) . ?
Ga1 Ga2 2.3811(9) . ?
Ga2 N3 1.8461(18) . ?
Ga2 N4 1.8491(17) . ?
Ga3 N5 1.8456(18) . ?
Ga3 N6 1.8465(17) . ?
Ga3 Ga4 2.3832(9) . ?
Ga4 N7 1.8465(17) . ?
Ga4 N8 1.8480(18) . ?
Al1 O1_32 1.70(3) . ?
Al1 O1_27 1.73(2) . ?
Al1 O1_3 1.7287(16) . ?
Al1 O1_4 1.731(5) . ?
Al1 O1_2 1.7310(16) . ?
Al1 O1_1 1.737(3) . ?
Al2 O1_33 1.62(3) . ?
Al2 O1_25 1.68(2) . ?
Al2 O1_5 1.711(7) . ?
Al2 O1_7 1.718(5) . ?
Al2 O1_30 1.720(18) . ?
Al2 O1_6 1.7314(19) . ?
Al2 O1_8 1.744(4) . ?
Al2 O1_23 1.75(2) . ?
Al2 O1_22 1.765(15) . ?
Al2 O1_31 1.840(16) . ?
Al3 O1_11 1.7197(16) . ?
Al3 O1_10 1.7267(16) . ?
Al3 O1_9 1.7314(16) . ?
Al3 O1_12 1.7387(17) . ?
Al4 O1_24 1.625(8) . ?
Al4 O1_13 1.654(5) . ?
Al4 O1_20 1.655(5) . ?
Al4 O1_28 1.723(18) . ?
Al4 O1_21 1.729(11) . ?
Al4 O1_14 1.735(2) . ?
Al4 O1_16 1.757(3) . ?
Al4 O1_15 1.767(3) . ?
Al4 O1_29 1.806(9) . ?
N1 C10A 1.348(2) . ?
N1 C1A 1.450(2) . ?
N2 C12A 1.349(2) . ?
N2 C15A 1.450(2) . ?
N3 C33A 1.352(2) . ?
N3 C24A 1.447(2) . ?
N4 C35A 1.348(2) . ?
N4 C38A 1.448(3) . ?
N5 C56A 1.348(2) . ?
N5 C47A 1.449(2) . ?
N6 C58A 1.353(2) . ?
N6 C61A 1.447(2) . ?
N7 C79A 1.351(2) . ?
N7 C70A 1.447(2) . ?
N8 C81A 1.347(2) . ?
N8 C84A 1.450(2) . ?
C1A C6A 1.398(3) . ?
C1A C2A 1.403(3) . ?
C2A C3A 1.391(3) . ?
C2A C7A 1.503(3) . ?
C3A C4A 1.392(3) . ?
C3A H3A 0.9500 . ?
C4A C5A 1.390(3) . ?
C4A C8A 1.504(3) . ?
C5A C6A 1.393(3) . ?
C5A H5A 0.9500 . ?
C6A C9A 1.510(3) . ?
C7A H7AA 0.9800 . ?
C7A H7AB 0.9800 . ?
C7A H7AC 0.9800 . ?
C8A H8AA 0.9800 . ?
C8A H8AB 0.9800 . ?
C8A H8AC 0.9800 . ?
C9A H9AA 0.9800 . ?
C9A H9AB 0.9800 . ?
C9A H9AC 0.9800 . ?
C10A C11A 1.398(3) . ?
C10A C13A 1.495(3) . ?
C11A C12A 1.398(3) . ?
C11A H11A 0.9500 . ?
C12A C14A 1.498(3) . ?
C13A H13A 0.9800 . ?
C13A H13B 0.9800 . ?
C13A H13C 0.9800 . ?
C14A H14A 0.9800 . ?
C14A H14B 0.9800 . ?
C14A H14C 0.9800 . ?
C15A C20A 1.397(3) . ?
C15A C16A 1.401(3) . ?
C16A C17A 1.394(3) . ?
C16A C21A 1.513(3) . ?
C17A C18A 1.393(3) . ?
C17A H17A 0.9500 . ?
C18A C19A 1.392(3) . ?
C18A C22A 1.506(3) . ?
C19A C20A 1.394(3) . ?
C19A H19A 0.9500 . ?
C20A C23A 1.513(3) . ?
C21A H21A 0.9800 . ?
C21A H21B 0.9800 . ?
C21A H21C 0.9800 . ?
C22A H22A 0.9800 . ?
C22A H22B 0.9800 . ?
C22A H22C 0.9800 . ?
C23A H23A 0.9800 . ?
C23A H23B 0.9800 . ?
C23A H23C 0.9800 . ?
C24A C25A 1.400(3) . ?
C24A C29A 1.401(3) . ?
C25A C26A 1.397(3) . ?
C25A C30A 1.506(3) . ?
C26A C27A 1.390(3) . ?
C26A H26A 0.9500 . ?
C27A C28A 1.393(3) . ?
C27A C31A 1.508(3) . ?
C28A C29A 1.393(3) . ?
C28A H28A 0.9500 . ?
C29A C32A 1.507(3) . ?
C30A H30A 0.9800 . ?
C30A H30B 0.9800 . ?
C30A H30C 0.9800 . ?
C31A H31A 0.9800 . ?
C31A H31B 0.9800 . ?
C31A H31C 0.9800 . ?
C32A H32A 0.9800 . ?
C32A H32B 0.9800 . ?
C32A H32C 0.9800 . ?
C33A C34A 1.396(3) . ?
C33A C36A 1.497(3) . ?
C34A C35A 1.398(3) . ?
C34A H34A 0.9500 . ?
C35A C37A 1.499(3) . ?
C36A H36A 0.9800 . ?
C36A H36B 0.9800 . ?
C36A H36C 0.9800 . ?
C37A H37A 0.9800 . ?
C37A H37B 0.9800 . ?
C37A H37C 0.9800 . ?
C38A C43A 1.397(3) . ?
C38A C39A 1.398(3) . ?
C39A C40A 1.395(3) . ?
C39A C44A 1.509(3) . ?
C40A C41A 1.393(3) . ?
C40A H40A 0.9500 . ?
C41A C42A 1.392(3) . ?
C41A C45A 1.507(3) . ?
C42A C43A 1.398(3) . ?
C42A H42A 0.9500 . ?
C43A C46A 1.512(3) . ?
C44A H44A 0.9800 . ?
C44A H44B 0.9800 . ?
C44A H44C 0.9800 . ?
C45A H45A 0.9800 . ?
C45A H45B 0.9800 . ?
C45A H45C 0.9800 . ?
C46A H46A 0.9800 . ?
C46A H46B 0.9800 . ?
C46A H46C 0.9800 . ?
C47A C48A 1.401(3) . ?
C47A C52A 1.401(3) . ?
C48A C49A 1.394(3) . ?
C48A C53A 1.509(3) . ?
C49A C50A 1.391(3) . ?
C49A H49A 0.9500 . ?
C50A C51A 1.392(3) . ?
C50A C54A 1.505(3) . ?
C51A C52A 1.398(3) . ?
C51A H51A 0.9500 . ?
C52A C55A 1.507(3) . ?
C53A H53A 0.9800 . ?
C53A H53B 0.9800 . ?
C53A H53C 0.9800 . ?
C54A H54A 0.9800 . ?
C54A H54B 0.9800 . ?
C54A H54C 0.9800 . ?
C55A H55A 0.9800 . ?
C55A H55B 0.9800 . ?
C55A H55C 0.9800 . ?
C56A C57A 1.396(3) . ?
C56A C59A 1.494(3) . ?
C57A C58A 1.396(3) . ?
C57A H57A 0.9500 . ?
C58A C60A 1.502(3) . ?
C59A H59A 0.9800 . ?
C59A H59B 0.9800 . ?
C59A H59C 0.9800 . ?
C60A H60A 0.9800 . ?
C60A H60B 0.9800 . ?
C60A H60C 0.9800 . ?
C61A C62A 1.398(3) . ?
C61A C66A 1.401(3) . ?
C62A C63A 1.398(3) . ?
C62A C67A 1.507(3) . ?
C63A C64A 1.393(3) . ?
C63A H63A 0.9500 . ?
C64A C65A 1.392(3) . ?
C64A C68A 1.508(3) . ?
C65A C66A 1.390(3) . ?
C65A H65A 0.9500 . ?
C66A C69A 1.510(3) . ?
C67A H67A 0.9800 . ?
C67A H67B 0.9800 . ?
C67A H67C 0.9800 . ?
C68A H68A 0.9800 . ?
C68A H68B 0.9800 . ?
C68A H68C 0.9800 . ?
C69A H69A 0.9800 . ?
C69A H69B 0.9800 . ?
C69A H69C 0.9800 . ?
C70A C75A 1.398(3) . ?
C70A C71A 1.399(3) . ?
C71A C72A 1.395(3) . ?
C71A C76A 1.509(3) . ?
C72A C73A 1.396(3) . ?
C72A H72A 0.9500 . ?
C73A C74A 1.393(3) . ?
C73A C77A 1.502(3) . ?
C74A C75A 1.392(3) . ?
C74A H74A 0.9500 . ?
C75A C78A 1.509(3) . ?
C76A H76A 0.9800 . ?
C76A H76B 0.9800 . ?
C76A H76C 0.9800 . ?
C77A H77A 0.9800 . ?
C77A H77B 0.9800 . ?
C77A H77C 0.9800 . ?
C78A H78A 0.9800 . ?
C78A H78B 0.9800 . ?
C78A H78C 0.9800 . ?
C79A C80A 1.390(3) . ?
C79A C82A 1.498(3) . ?
C80A C81A 1.401(3) . ?
C80A H80A 0.9500 . ?
C81A C83A 1.496(3) . ?
C82A H82A 0.9800 . ?
C82A H82B 0.9800 . ?
C82A H82C 0.9800 . ?
C83A H83A 0.9800 . ?
C83A H83B 0.9800 . ?
C83A H83C 0.9800 . ?
C84A C89A 1.401(3) . ?
C84A C85A 1.402(3) . ?
C85A C86A 1.390(3) . ?
C85A C90A 1.504(3) . ?
C86A C87A 1.394(3) . ?
C86A H86A 0.9500 . ?
C87A C88A 1.393(3) . ?
C87A C91A 1.507(3) . ?
C88A C89A 1.389(3) . ?
C88A H88A 0.9500 . ?
C89A C92A 1.509(3) . ?
C90A H90A 0.9800 . ?
C90A H90B 0.9800 . ?
C90A H90C 0.9800 . ?
C91A H91A 0.9800 . ?
C91A H91B 0.9800 . ?
C91A H91C 0.9800 . ?
C92A H92A 0.9800 . ?
C92A H92B 0.9800 . ?
C92A H92C 0.9800 . ?
O1_1 C1_1 1.348(3) . ?
C1_1 C3_1 1.546(4) . ?
C1_1 C4_1 1.555(4) . ?
C1_1 C2_1 1.571(4) . ?
C2_1 F1_1 1.329(4) . ?
C2_1 F3_1 1.333(4) . ?
C2_1 F2_1 1.338(3) . ?
C3_1 F5_1 1.320(3) . ?
C3_1 F4_1 1.327(3) . ?
C3_1 F6_1 1.345(3) . ?
C4_1 F7_1 1.323(4) . ?
C4_1 F9_1 1.337(4) . ?
C4_1 F8_1 1.345(3) . ?
O1_2 C1_2 1.348(2) . ?
C1_2 C4_2 1.545(3) . ?
C1_2 C3_2 1.554(3) . ?
C1_2 C2_2 1.572(3) . ?
C2_2 F1_2 1.317(3) . ?
C2_2 F2_2 1.350(3) . ?
C2_2 F3_2 1.352(4) . ?
C3_2 F5_2 1.315(3) . ?
C3_2 F4_2 1.344(3) . ?
C3_2 F6_2 1.345(3) . ?
C4_2 F7_2 1.327(4) . ?
C4_2 F8_2 1.349(3) . ?
C4_2 F9_2 1.351(4) . ?
O1_3 C1_3 1.355(2) . ?
C1_3 C4_3 1.546(3) . ?
C1_3 C3_3 1.555(3) . ?
C1_3 C2_3 1.561(3) . ?
C2_3 F3_3 1.320(3) . ?
C2_3 F2_3 1.334(3) . ?
C2_3 F1_3 1.338(3) . ?
C3_3 F5_3 1.334(3) . ?
C3_3 F4_3 1.334(3) . ?
C3_3 F6_3 1.338(2) . ?
C4_3 F9_3 1.334(3) . ?
C4_3 F7_3 1.334(3) . ?
C4_3 F8_3 1.337(3) . ?
O1_4 C1_4 1.350(4) . ?
C1_4 C4_4 1.554(4) . ?
C1_4 C3_4 1.563(4) . ?
C1_4 C2_4 1.564(4) . ?
C2_4 F3_4 1.329(4) . ?
C2_4 F1_4 1.333(4) . ?
C2_4 F2_4 1.345(4) . ?
C3_4 F4_4 1.324(4) . ?
C3_4 F6_4 1.333(3) . ?
C3_4 F5_4 1.336(4) . ?
C4_4 F9_4 1.330(4) . ?
C4_4 F7_4 1.330(3) . ?
C4_4 F8_4 1.337(3) . ?
O1_5 C1_5 1.345(5) . ?
C1_5 C4_5 1.542(5) . ?
C1_5 C2_5 1.549(6) . ?
C1_5 C3_5 1.572(6) . ?
C2_5 F3_5 1.319(5) . ?
C2_5 F1_5 1.324(7) . ?
C2_5 F2_5 1.335(4) . ?
C3_5 F6_5 1.313(5) . ?
C3_5 F4_5 1.323(5) . ?
C3_5 F5_5 1.331(6) . ?
C4_5 F9_5 1.321(5) . ?
C4_5 F8_5 1.336(4) . ?
C4_5 F7_5 1.378(6) . ?
O1_6 C1_6 1.347(3) . ?
C1_6 C3_6 1.551(3) . ?
C1_6 C2_6 1.552(4) . ?
C1_6 C4_6 1.555(3) . ?
C2_6 F3_6 1.315(4) . ?
C2_6 F2_6 1.333(3) . ?
C2_6 F1_6 1.355(4) . ?
C3_6 F4_6 1.317(3) . ?
C3_6 F6_6 1.334(3) . ?
C3_6 F5_6 1.348(4) . ?
C4_6 F9_6 1.317(4) . ?
C4_6 F8_6 1.336(3) . ?
C4_6 F7_6 1.354(4) . ?
O1_7 C1_7 1.350(4) . ?
C1_7 C4_7 1.557(5) . ?
C1_7 C2_7 1.557(4) . ?
C1_7 C3_7 1.559(4) . ?
C2_7 F1_7 1.331(5) . ?
C2_7 F3_7 1.333(4) . ?
C2_7 F2_7 1.339(4) . ?
C3_7 F5_7 1.316(6) . ?
C3_7 F4_7 1.329(4) . ?
C3_7 F6_7 1.338(4) . ?
C4_7 F7_7 1.313(5) . ?
C4_7 F9_7 1.325(4) . ?
C4_7 F8_7 1.345(4) . ?
O1_8 C1_8 1.347(3) . ?
C1_8 C3_8 1.551(4) . ?
C1_8 C2_8 1.555(4) . ?
C1_8 C4_8 1.564(4) . ?
C2_8 F3_8 1.325(5) . ?
C2_8 F1_8 1.331(4) . ?
C2_8 F2_8 1.339(4) . ?
C3_8 F4_8 1.324(4) . ?
C3_8 F5_8 1.331(4) . ?
C3_8 F6_8 1.338(4) . ?
C4_8 F7_8 1.324(4) . ?
C4_8 F9_8 1.338(4) . ?
C4_8 F8_8 1.340(4) . ?
O1_9 C1_9 1.346(2) . ?
C1_9 C2_9 1.556(3) . ?
C1_9 C3_9 1.559(3) . ?
C1_9 C4_9 1.560(3) . ?
C2_9 F1_9 1.312(3) . ?
C2_9 F2_9 1.335(3) . ?
C2_9 F3_9 1.343(3) . ?
C3_9 F5_9 1.318(3) . ?
C3_9 F4_9 1.335(3) . ?
C3_9 F6_9 1.346(3) . ?
C4_9 F7_9 1.308(3) . ?
C4_9 F8_9 1.335(3) . ?
C4_9 F9_9 1.341(3) . ?
O1_10 C1_10 1.348(2) . ?
C1_10 C4_10 1.557(3) . ?
C1_10 C2_10 1.558(3) . ?
C1_10 C3_10 1.563(3) . ?
C2_10 F3_10 1.328(3) . ?
C2_10 F1_10 1.331(3) . ?
C2_10 F2_10 1.340(3) . ?
C3_10 F4_10 1.326(3) . ?
C3_10 F5_10 1.330(3) . ?
C3_10 F6_10 1.344(2) . ?
C4_10 F7_10 1.328(3) . ?
C4_10 F9_10 1.329(3) . ?
C4_10 F8_10 1.344(3) . ?
O1_11 C1_11 1.357(2) . ?
C1_11 C4_11 1.551(3) . ?
C1_11 C3_11 1.554(3) . ?
C1_11 C2_11 1.558(3) . ?
C2_11 F1_11 1.325(3) . ?
C2_11 F3_11 1.335(3) . ?
C2_11 F2_11 1.342(3) . ?
C3_11 F5_11 1.326(3) . ?
C3_11 F6_11 1.330(3) . ?
C3_11 F4_11 1.333(3) . ?
C4_11 F8_11 1.327(3) . ?
C4_11 F7_11 1.331(3) . ?
C4_11 F9_11 1.344(3) . ?
O1_12 C1_12 1.346(2) . ?
C1_12 C3_12 1.556(3) . ?
C1_12 C2_12 1.561(3) . ?
C1_12 C4_12 1.568(3) . ?
C2_12 F1_12 1.326(3) . ?
C2_12 F2_12 1.333(3) . ?
C2_12 F3_12 1.335(3) . ?
C3_12 F5_12 1.323(3) . ?
C3_12 F4_12 1.337(3) . ?
C3_12 F6_12 1.348(3) . ?
C4_12 F7_12 1.320(3) . ?
C4_12 F9_12 1.328(3) . ?
C4_12 F8_12 1.346(3) . ?
O1_13 C1_13 1.354(6) . ?
C1_13 C4_13 1.541(6) . ?
C1_13 C3_13 1.543(6) . ?
C1_13 C2_13 1.562(6) . ?
C2_13 F1_13 1.303(5) . ?
C2_13 F2_13 1.347(5) . ?
C2_13 F3_13 1.349(6) . ?
C3_13 F4_13 1.323(7) . ?
C3_13 F5_13 1.343(7) . ?
C3_13 F6_13 1.359(6) . ?
C4_13 F7_13 1.328(6) . ?
C4_13 F9_13 1.336(6) . ?
C4_13 F8_13 1.350(5) . ?
O1_14 C1_14 1.346(5) . ?
C1_14 C3_14 1.544(6) . ?
C1_14 C2_14 1.556(5) . ?
C1_14 C4_14 1.556(5) . ?
C2_14 F1_14 1.327(5) . ?
C2_14 F3_14 1.331(5) . ?
C2_14 F2_14 1.345(4) . ?
C3_14 F4_14 1.331(6) . ?
C3_14 F6_14 1.335(6) . ?
C3_14 F5_14 1.345(7) . ?
C4_14 F9_14 1.322(5) . ?
C4_14 F7_14 1.334(5) . ?
C4_14 F8_14 1.356(4) . ?
O1_15 C1_15 1.341(5) . ?
C1_15 C2_15 1.539(5) . ?
C1_15 C3_15 1.559(5) . ?
C1_15 C4_15 1.567(6) . ?
C2_15 F1_15 1.313(5) . ?
C2_15 F3_15 1.346(5) . ?
C2_15 F2_15 1.346(4) . ?
C3_15 F6_15 1.332(4) . ?
C3_15 F5_15 1.335(4) . ?
C3_15 F4_15 1.336(4) . ?
C4_15 F7_15 1.313(6) . ?
C4_15 F8_15 1.333(5) . ?
C4_15 F9_15 1.339(5) . ?
O1_16 C1_16 1.335(4) . ?
C1_16 C2_16 1.544(5) . ?
C1_16 C3_16 1.551(5) . ?
C1_16 C4_16 1.586(5) . ?
C2_16 F2_16 1.318(5) . ?
C2_16 F1_16 1.330(5) . ?
C2_16 F3_16 1.373(5) . ?
C3_16 F6_16 1.334(5) . ?
C3_16 F5_16 1.340(5) . ?
C3_16 F4_16 1.346(5) . ?
C4_16 F7_16 1.315(4) . ?
C4_16 F9_16 1.334(4) . ?
C4_16 F8_16 1.337(4) . ?
C1_17 F1_17 1.350(3) . ?
C1_17 C2_17 1.367(3) . ?
C1_17 C6_17 1.367(4) . ?
C2_17 F2_17 1.349(3) . ?
C2_17 C3_17 1.371(3) . ?
C3_17 C4_17 1.369(4) . ?
C3_17 H3_17 0.9500 . ?
C4_17 C5_17 1.388(5) . ?
C4_17 H4_17 0.9500 . ?
C5_17 C6_17 1.386(5) . ?
C5_17 H5_17 0.9500 . ?
C6_17 H6_17 0.9500 . ?
C1_18 F1_18 1.349(3) . ?
C1_18 C2_18 1.372(5) . ?
C1_18 C6_18 1.384(5) . ?
C2_18 F2_18 1.350(4) . ?
C2_18 C3_18 1.372(4) . ?
C3_18 C4_18 1.380(4) . ?
C3_18 H3_18 0.9500 . ?
C4_18 C5_18 1.377(4) . ?
C4_18 H4_18 0.9500 . ?
C5_18 C6_18 1.384(4) . ?
C5_18 H5_18 0.9500 . ?
C6_18 H6_18 0.9500 . ?
C1_19 F1_19 1.348(3) . ?
C1_19 C6_19 1.373(4) . ?
C1_19 C2_19 1.376(4) . ?
C2_19 F2_19 1.347(4) . ?
C2_19 C3_19 1.384(4) . ?
C3_19 C4_19 1.377(5) . ?
C3_19 H3_19 0.9500 . ?
C4_19 C5_19 1.384(5) . ?
C4_19 H4_19 0.9500 . ?
C5_19 C6_19 1.384(4) . ?
C5_19 H5_19 0.9500 . ?
C6_19 H6_19 0.9500 . ?
O1_20 C1_20 1.347(10) . ?
C1_20 C4_20 1.537(10) . ?
C1_20 C3_20 1.541(10) . ?
C1_20 C2_20 1.561(10) . ?
C2_20 F2_20 1.304(9) . ?
C2_20 F3_20 1.332(9) . ?
C2_20 F1_20 1.340(10) . ?
C3_20 F5_20 1.316(8) . ?
C3_20 F6_20 1.340(8) . ?
C3_20 F4_20 1.350(9) . ?
C4_20 F9_20 1.332(10) . ?
C4_20 F8_20 1.345(10) . ?
C4_20 F7_20 1.358(10) . ?
O1_21 C1_21 1.356(11) . ?
C1_21 C3_21 1.541(11) . ?
C1_21 C4_21 1.559(11) . ?
C1_21 C2_21 1.566(11) . ?
C2_21 F1_21 1.312(12) . ?
C2_21 F3_21 1.337(12) . ?
C2_21 F2_21 1.337(12) . ?
C3_21 F5_21 1.316(11) . ?
C3_21 F6_21 1.343(10) . ?
C3_21 F4_21 1.358(10) . ?
C4_21 F8_21 1.324(10) . ?
C4_21 F7_21 1.347(10) . ?
C4_21 F9_21 1.352(10) . ?
O1_22 C1_22 1.347(11) . ?
C1_22 C3_22 1.544(10) . ?
C1_22 C4_22 1.551(10) . ?
C1_22 C2_22 1.566(10) . ?
C2_22 F1_22 1.302(9) . ?
C2_22 F3_22 1.317(11) . ?
C2_22 F2_22 1.346(8) . ?
C3_22 F5_22 1.291(10) . ?
C3_22 F6_22 1.332(8) . ?
C3_22 F4_22 1.343(11) . ?
C4_22 F7_22 1.309(9) . ?
C4_22 F8_22 1.317(9) . ?
C4_22 F9_22 1.362(11) . ?
O1_23 C1_23 1.353(13) . ?
C1_23 C4_23 1.548(11) . ?
C1_23 C2_23 1.549(11) . ?
C1_23 C3_23 1.554(11) . ?
C2_23 F2_23 1.314(11) . ?
C2_23 F1_23 1.319(11) . ?
C2_23 F3_23 1.337(12) . ?
C3_23 F5_23 1.310(11) . ?
C3_23 F6_23 1.330(11) . ?
C3_23 F4_23 1.332(12) . ?
C4_23 F8_23 1.326(11) . ?
C4_23 F9_23 1.329(11) . ?
C4_23 F7_23 1.329(11) . ?
F7_23 F7_30 1.320(19) . ?
O1_24 C1_24 1.343(10) . ?
C1_24 C3_24 1.540(10) . ?
C1_24 C4_24 1.547(10) . ?
C1_24 C2_24 1.557(10) . ?
C2_24 F3_24 1.308(10) . ?
C2_24 F2_24 1.346(10) . ?
C2_24 F1_24 1.348(10) . ?
C3_24 F5_24 1.323(10) . ?
C3_24 F4_24 1.361(9) . ?
C3_24 F6_24 1.365(10) . ?
C4_24 F8_24 1.333(11) . ?
C4_24 F7_24 1.345(10) . ?
C4_24 F9_24 1.375(11) . ?
O1_25 C1_25 1.353(13) . ?
C1_25 C3_25 1.544(12) . ?
C1_25 C4_25 1.550(12) . ?
C1_25 C2_25 1.555(12) . ?
C2_25 F1_25 1.307(12) . ?
C2_25 F2_25 1.317(12) . ?
C2_25 F3_25 1.338(12) . ?
C3_25 F5_25 1.319(12) . ?
C3_25 F4_25 1.335(12) . ?
C3_25 F6_25 1.336(13) . ?
C4_25 F7_25 1.331(12) . ?
C4_25 F8_25 1.334(12) . ?
C4_25 F9_25 1.342(12) . ?
C1_26 F1_26 1.346(14) . ?
C1_26 C6_26 1.369(14) . ?
C1_26 C2_26 1.386(14) . ?
C2_26 F2_26 1.348(14) . ?
C2_26 C3_26 1.371(14) . ?
C3_26 C4_26 1.373(14) . ?
C3_26 H3_26 0.9500 . ?
C4_26 C5_26 1.383(16) . ?
C4_26 H4_26 0.9500 . ?
C5_26 C6_26 1.376(14) . ?
C5_26 H5_26 0.9500 . ?
C6_26 H6_26 0.9500 . ?
O1_27 C1_27 1.356(13) . ?
C1_27 C3_27 1.543(11) . ?
C1_27 C4_27 1.554(11) . ?
C1_27 C2_27 1.557(12) . ?
C2_27 F1_27 1.331(12) . ?
C2_27 F3_27 1.333(12) . ?
C2_27 F2_27 1.337(13) . ?
C3_27 F6_27 1.333(11) . ?
C3_27 F4_27 1.336(11) . ?
C3_27 F5_27 1.340(11) . ?
C4_27 F9_27 1.333(11) . ?
C4_27 F8_27 1.342(11) . ?
C4_27 F7_27 1.346(11) . ?
O1_28 C1_28 1.351(13) . ?
C1_28 C2_28 1.543(12) . ?
C1_28 C3_28 1.550(12) . ?
C1_28 C4_28 1.550(12) . ?
C2_28 F2_28 1.320(12) . ?
C2_28 F1_28 1.327(12) . ?
C2_28 F3_28 1.327(12) . ?
C3_28 F4_28 1.314(12) . ?
C3_28 F5_28 1.316(12) . ?
C3_28 F6_28 1.337(12) . ?
C4_28 F9_28 1.321(12) . ?
C4_28 F7_28 1.328(12) . ?
C4_28 F8_28 1.332(12) . ?
O1_29 C1_29 1.359(10) . ?
C1_29 C4_29 1.546(9) . ?
C1_29 C3_29 1.552(10) . ?
C1_29 C2_29 1.561(10) . ?
C2_29 F2_29 1.294(10) . ?
C2_29 F1_29 1.321(10) . ?
C2_29 F3_29 1.324(10) . ?
C3_29 F5_29 1.316(9) . ?
C3_29 F4_29 1.331(9) . ?
C3_29 F6_29 1.340(9) . ?
C4_29 F8_29 1.329(9) . ?
C4_29 F7_29 1.341(8) . ?
C4_29 F9_29 1.350(9) . ?
O1_30 C1_30 1.347(13) . ?
C1_30 C3_30 1.549(12) . ?
C1_30 C2_30 1.553(12) . ?
C1_30 C4_30 1.560(12) . ?
C2_30 F2_30 1.335(12) . ?
C2_30 F3_30 1.336(12) . ?
C2_30 F1_30 1.340(13) . ?
C3_30 F6_30 1.316(13) . ?
C3_30 F4_30 1.337(13) . ?
C3_30 F5_30 1.356(13) . ?
C4_30 F9_30 1.333(12) . ?
C4_30 F7_30 1.336(13) . ?
C4_30 F8_30 1.337(13) . ?
O1_31 C1_31 1.358(13) . ?
C1_31 C2_31 1.549(12) . ?
C1_31 C3_31 1.552(12) . ?
C1_31 C4_31 1.558(12) . ?
C2_31 F1_31 1.328(13) . ?
C2_31 F2_31 1.332(12) . ?
C2_31 F3_31 1.338(13) . ?
C3_31 F6_31 1.330(13) . ?
C3_31 F4_31 1.331(13) . ?
C3_31 F5_31 1.334(13) . ?
C4_31 F8_31 1.325(12) . ?
C4_31 F9_31 1.326(13) . ?
C4_31 F7_31 1.335(13) . ?
O1_32 C1_32 1.358(13) . ?
C1_32 C2_32 1.544(12) . ?
C1_32 C4_32 1.545(12) . ?
C1_32 C3_32 1.554(12) . ?
C2_32 F3_32 1.325(13) . ?
C2_32 F1_32 1.331(13) . ?
C2_32 F2_32 1.337(13) . ?
C3_32 F4_32 1.315(13) . ?
C3_32 F5_32 1.324(13) . ?
C3_32 F6_32 1.327(13) . ?
C4_32 F8_32 1.320(13) . ?
C4_32 F9_32 1.321(13) . ?
C4_32 F7_32 1.333(13) . ?
O1_33 C1_33 1.362(13) . ?
C1_33 C3_33 1.545(12) . ?
C1_33 C4_33 1.552(12) . ?
C1_33 C2_33 1.552(12) . ?
C2_33 F1_33 1.324(13) . ?
C2_33 F2_33 1.330(13) . ?
C2_33 F3_33 1.332(13) . ?
C3_33 F6_33 1.328(13) . ?
C3_33 F5_33 1.335(13) . ?
C3_33 F4_33 1.340(13) . ?
C4_33 F9_33 1.329(13) . ?
C4_33 F7_33 1.330(13) . ?
C4_33 F8_33 1.341(13) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Ga1 N1 102.01(7) . . ?
N2 Ga1 Ga2 130.68(5) . . ?
N1 Ga1 Ga2 127.31(5) . . ?
N3 Ga2 N4 102.09(7) . . ?
N3 Ga2 Ga1 126.72(5) . . ?
N4 Ga2 Ga1 131.19(6) . . ?
N5 Ga3 N6 101.87(7) . . ?
N5 Ga3 Ga4 125.87(5) . . ?
N6 Ga3 Ga4 132.26(5) . . ?
N7 Ga4 N8 102.08(7) . . ?
N7 Ga4 Ga3 128.28(6) . . ?
N8 Ga4 Ga3 129.63(5) . . ?
O1_32 Al1 O1_27 109.4(17) . . ?
O1_3 Al1 O1_4 112.7(2) . . ?
O1_3 Al1 O1_2 108.58(8) . . ?
O1_4 Al1 O1_2 107.9(2) . . ?
O1_3 Al1 O1_1 108.19(13) . . ?
O1_4 Al1 O1_1 106.6(2) . . ?
O1_2 Al1 O1_1 112.91(13) . . ?
O1_5 Al2 O1_7 112.1(4) . . ?
O1_25 Al2 O1_30 111.4(15) . . ?
O1_5 Al2 O1_6 109.9(3) . . ?
O1_7 Al2 O1_6 107.0(3) . . ?
O1_5 Al2 O1_8 106.9(4) . . ?
O1_7 Al2 O1_8 107.9(3) . . ?
O1_6 Al2 O1_8 113.02(19) . . ?
O1_25 Al2 O1_23 105.7(16) . . ?
O1_30 Al2 O1_23 119.3(13) . . ?
O1_25 Al2 O1_22 109.6(14) . . ?
O1_30 Al2 O1_22 97.2(9) . . ?
O1_23 Al2 O1_22 113.4(12) . . ?
O1_33 Al2 O1_31 111.1(14) . . ?
O1_11 Al3 O1_10 108.38(8) . . ?
O1_11 Al3 O1_9 113.92(8) . . ?
O1_10 Al3 O1_9 108.00(8) . . ?
O1_11 Al3 O1_12 106.04(8) . . ?
O1_10 Al3 O1_12 112.19(8) . . ?
O1_9 Al3 O1_12 108.39(8) . . ?
O1_24 Al4 O1_20 115.6(4) . . ?
O1_24 Al4 O1_21 114.6(6) . . ?
O1_20 Al4 O1_21 112.0(5) . . ?
O1_13 Al4 O1_14 110.5(3) . . ?
O1_13 Al4 O1_16 107.9(3) . . ?
O1_14 Al4 O1_16 111.97(15) . . ?
O1_13 Al4 O1_15 118.4(2) . . ?
O1_14 Al4 O1_15 105.15(13) . . ?
O1_16 Al4 O1_15 102.73(14) . . ?
O1_24 Al4 O1_29 108.5(5) . . ?
O1_20 Al4 O1_29 101.5(4) . . ?
O1_21 Al4 O1_29 102.9(6) . . ?
C10A N1 C1A 122.80(15) . . ?
C10A N1 Ga1 121.34(13) . . ?
C1A N1 Ga1 115.82(12) . . ?
C12A N2 C15A 121.58(15) . . ?
C12A N2 Ga1 121.83(13) . . ?
C15A N2 Ga1 116.59(11) . . ?
C33A N3 C24A 120.06(15) . . ?
C33A N3 Ga2 121.52(13) . . ?
C24A N3 Ga2 118.24(12) . . ?
C35A N4 C38A 120.71(16) . . ?
C35A N4 Ga2 121.04(14) . . ?
C38A N4 Ga2 118.25(12) . . ?
C56A N5 C47A 120.43(16) . . ?
C56A N5 Ga3 121.91(13) . . ?
C47A N5 Ga3 117.44(12) . . ?
C58A N6 C61A 119.85(15) . . ?
C58A N6 Ga3 121.32(13) . . ?
C61A N6 Ga3 118.58(12) . . ?
C79A N7 C70A 121.35(16) . . ?
C79A N7 Ga4 121.37(13) . . ?
C70A N7 Ga4 117.27(12) . . ?
C81A N8 C84A 121.66(16) . . ?
C81A N8 Ga4 121.34(13) . . ?
C84A N8 Ga4 116.95(12) . . ?
C6A C1A C2A 122.08(17) . . ?
C6A C1A N1 119.15(17) . . ?
C2A C1A N1 118.62(17) . . ?
C3A C2A C1A 117.72(18) . . ?
C3A C2A C7A 121.10(19) . . ?
C1A C2A C7A 121.17(18) . . ?
C2A C3A C4A 121.94(19) . . ?
C2A C3A H3A 119.0 . . ?
C4A C3A H3A 119.0 . . ?
C5A C4A C3A 118.53(19) . . ?
C5A C4A C8A 120.8(2) . . ?
C3A C4A C8A 120.7(2) . . ?
C4A C5A C6A 121.94(19) . . ?
C4A C5A H5A 119.0 . . ?
C6A C5A H5A 119.0 . . ?
C5A C6A C1A 117.76(18) . . ?
C5A C6A C9A 120.51(18) . . ?
C1A C6A C9A 121.72(17) . . ?
C2A C7A H7AA 109.5 . . ?
C2A C7A H7AB 109.5 . . ?
H7AA C7A H7AB 109.5 . . ?
C2A C7A H7AC 109.5 . . ?
H7AA C7A H7AC 109.5 . . ?
H7AB C7A H7AC 109.5 . . ?
C4A C8A H8AA 109.5 . . ?
C4A C8A H8AB 109.5 . . ?
H8AA C8A H8AB 109.5 . . ?
C4A C8A H8AC 109.5 . . ?
H8AA C8A H8AC 109.5 . . ?
H8AB C8A H8AC 109.5 . . ?
C6A C9A H9AA 109.5 . . ?
C6A C9A H9AB 109.5 . . ?
H9AA C9A H9AB 109.5 . . ?
C6A C9A H9AC 109.5 . . ?
H9AA C9A H9AC 109.5 . . ?
H9AB C9A H9AC 109.5 . . ?
N1 C10A C11A 123.21(17) . . ?
N1 C10A C13A 118.77(17) . . ?
C11A C10A C13A 118.02(17) . . ?
C10A C11A C12A 128.95(17) . . ?
C10A C11A H11A 115.5 . . ?
C12A C11A H11A 115.5 . . ?
N2 C12A C11A 122.64(17) . . ?
N2 C12A C14A 118.56(17) . . ?
C11A C12A C14A 118.80(16) . . ?
C10A C13A H13A 109.5 . . ?
C10A C13A H13B 109.5 . . ?
H13A C13A H13B 109.5 . . ?
C10A C13A H13C 109.5 . . ?
H13A C13A H13C 109.5 . . ?
H13B C13A H13C 109.5 . . ?
C12A C14A H14A 109.5 . . ?
C12A C14A H14B 109.5 . . ?
H14A C14A H14B 109.5 . . ?
C12A C14A H14C 109.5 . . ?
H14A C14A H14C 109.5 . . ?
H14B C14A H14C 109.5 . . ?
C20A C15A C16A 122.14(16) . . ?
C20A C15A N2 119.29(16) . . ?
C16A C15A N2 118.39(16) . . ?
C17A C16A C15A 117.72(17) . . ?
C17A C16A C21A 120.84(17) . . ?
C15A C16A C21A 121.44(17) . . ?
C18A C17A C16A 121.90(17) . . ?
C18A C17A H17A 119.0 . . ?
C16A C17A H17A 119.0 . . ?
C19A C18A C17A 118.48(17) . . ?
C19A C18A C22A 121.49(17) . . ?
C17A C18A C22A 120.03(17) . . ?
C18A C19A C20A 121.86(18) . . ?
C18A C19A H19A 119.1 . . ?
C20A C19A H19A 119.1 . . ?
C19A C20A C15A 117.85(17) . . ?
C19A C20A C23A 120.83(17) . . ?
C15A C20A C23A 121.32(17) . . ?
C16A C21A H21A 109.5 . . ?
C16A C21A H21B 109.5 . . ?
H21A C21A H21B 109.5 . . ?
C16A C21A H21C 109.5 . . ?
H21A C21A H21C 109.5 . . ?
H21B C21A H21C 109.5 . . ?
C18A C22A H22A 109.5 . . ?
C18A C22A H22B 109.5 . . ?
H22A C22A H22B 109.5 . . ?
C18A C22A H22C 109.5 . . ?
H22A C22A H22C 109.5 . . ?
H22B C22A H22C 109.5 . . ?
C20A C23A H23A 109.5 . . ?
C20A C23A H23B 109.5 . . ?
H23A C23A H23B 109.5 . . ?
C20A C23A H23C 109.5 . . ?
H23A C23A H23C 109.5 . . ?
H23B C23A H23C 109.5 . . ?
C25A C24A C29A 122.39(17) . . ?
C25A C24A N3 119.85(16) . . ?
C29A C24A N3 117.76(16) . . ?
C26A C25A C24A 117.27(17) . . ?
C26A C25A C30A 121.14(18) . . ?
C24A C25A C30A 121.49(17) . . ?
C27A C26A C25A 122.12(18) . . ?
C27A C26A H26A 118.9 . . ?
C25A C26A H26A 118.9 . . ?
C26A C27A C28A 118.74(17) . . ?
C26A C27A C31A 120.60(19) . . ?
C28A C27A C31A 120.66(19) . . ?
C27A C28A C29A 121.58(18) . . ?
C27A C28A H28A 119.2 . . ?
C29A C28A H28A 119.2 . . ?
C28A C29A C24A 117.89(17) . . ?
C28A C29A C32A 121.01(17) . . ?
C24A C29A C32A 121.09(17) . . ?
C25A C30A H30A 109.5 . . ?
C25A C30A H30B 109.5 . . ?
H30A C30A H30B 109.5 . . ?
C25A C30A H30C 109.5 . . ?
H30A C30A H30C 109.5 . . ?
H30B C30A H30C 109.5 . . ?
C27A C31A H31A 109.5 . . ?
C27A C31A H31B 109.5 . . ?
H31A C31A H31B 109.5 . . ?
C27A C31A H31C 109.5 . . ?
H31A C31A H31C 109.5 . . ?
H31B C31A H31C 109.5 . . ?
C29A C32A H32A 109.5 . . ?
C29A C32A H32B 109.5 . . ?
H32A C32A H32B 109.5 . . ?
C29A C32A H32C 109.5 . . ?
H32A C32A H32C 109.5 . . ?
H32B C32A H32C 109.5 . . ?
N3 C33A C34A 122.77(17) . . ?
N3 C33A C36A 118.75(17) . . ?
C34A C33A C36A 118.48(16) . . ?
C33A C34A C35A 128.84(17) . . ?
C33A C34A H34A 115.6 . . ?
C35A C34A H34A 115.6 . . ?
N4 C35A C34A 123.40(17) . . ?
N4 C35A C37A 118.55(18) . . ?
C34A C35A C37A 118.05(17) . . ?
C33A C36A H36A 109.5 . . ?
C33A C36A H36B 109.5 . . ?
H36A C36A H36B 109.5 . . ?
C33A C36A H36C 109.5 . . ?
H36A C36A H36C 109.5 . . ?
H36B C36A H36C 109.5 . . ?
C35A C37A H37A 109.5 . . ?
C35A C37A H37B 109.5 . . ?
H37A C37A H37B 109.5 . . ?
C35A C37A H37C 109.5 . . ?
H37A C37A H37C 109.5 . . ?
H37B C37A H37C 109.5 . . ?
C43A C38A C39A 122.10(18) . . ?
C43A C38A N4 118.89(17) . . ?
C39A C38A N4 118.98(18) . . ?
C40A C39A C38A 117.9(2) . . ?
C40A C39A C44A 121.30(19) . . ?
C38A C39A C44A 120.84(19) . . ?
C41A C40A C39A 121.9(2) . . ?
C41A C40A H40A 119.1 . . ?
C39A C40A H40A 119.1 . . ?
C42A C41A C40A 118.6(2) . . ?
C42A C41A C45A 120.5(2) . . ?
C40A C41A C45A 120.9(2) . . ?
C41A C42A C43A 121.7(2) . . ?
C41A C42A H42A 119.2 . . ?
C43A C42A H42A 119.2 . . ?
C38A C43A C42A 117.94(19) . . ?
C38A C43A C46A 121.41(19) . . ?
C42A C43A C46A 120.7(2) . . ?
C39A C44A H44A 109.5 . . ?
C39A C44A H44B 109.5 . . ?
H44A C44A H44B 109.5 . . ?
C39A C44A H44C 109.5 . . ?
H44A C44A H44C 109.5 . . ?
H44B C44A H44C 109.5 . . ?
C41A C45A H45A 109.5 . . ?
C41A C45A H45B 109.5 . . ?
H45A C45A H45B 109.5 . . ?
C41A C45A H45C 109.5 . . ?
H45A C45A H45C 109.5 . . ?
H45B C45A H45C 109.5 . . ?
C43A C46A H46A 109.5 . . ?
C43A C46A H46B 109.5 . . ?
H46A C46A H46B 109.5 . . ?
C43A C46A H46C 109.5 . . ?
H46A C46A H46C 109.5 . . ?
H46B C46A H46C 109.5 . . ?
C48A C47A C52A 122.21(17) . . ?
C48A C47A N5 118.27(17) . . ?
C52A C47A N5 119.50(16) . . ?
C49A C48A C47A 117.91(18) . . ?
C49A C48A C53A 121.27(18) . . ?
C47A C48A C53A 120.82(18) . . ?
C50A C49A C48A 121.79(19) . . ?
C50A C49A H49A 119.1 . . ?
C48A C49A H49A 119.1 . . ?
C49A C50A C51A 118.58(18) . . ?
C49A C50A C54A 120.65(19) . . ?
C51A C50A C54A 120.8(2) . . ?
C50A C51A C52A 122.10(19) . . ?
C50A C51A H51A 118.9 . . ?
C52A C51A H51A 118.9 . . ?
C51A C52A C47A 117.40(17) . . ?
C51A C52A C55A 121.08(18) . . ?
C47A C52A C55A 121.48(17) . . ?
C48A C53A H53A 109.5 . . ?
C48A C53A H53B 109.5 . . ?
H53A C53A H53B 109.5 . . ?
C48A C53A H53C 109.5 . . ?
H53A C53A H53C 109.5 . . ?
H53B C53A H53C 109.5 . . ?
C50A C54A H54A 109.5 . . ?
C50A C54A H54B 109.5 . . ?
H54A C54A H54B 109.5 . . ?
C50A C54A H54C 109.5 . . ?
H54A C54A H54C 109.5 . . ?
H54B C54A H54C 109.5 . . ?
C52A C55A H55A 109.5 . . ?
C52A C55A H55B 109.5 . . ?
H55A C55A H55B 109.5 . . ?
C52A C55A H55C 109.5 . . ?
H55A C55A H55C 109.5 . . ?
H55B C55A H55C 109.5 . . ?
N5 C56A C57A 122.67(17) . . ?
N5 C56A C59A 118.72(17) . . ?
C57A C56A C59A 118.60(17) . . ?
C56A C57A C58A 128.88(17) . . ?
C56A C57A H57A 115.6 . . ?
C58A C57A H57A 115.6 . . ?
N6 C58A C57A 123.12(17) . . ?
N6 C58A C60A 118.31(17) . . ?
C57A C58A C60A 118.55(17) . . ?
C56A C59A H59A 109.5 . . ?
C56A C59A H59B 109.5 . . ?
H59A C59A H59B 109.5 . . ?
C56A C59A H59C 109.5 . . ?
H59A C59A H59C 109.5 . . ?
H59B C59A H59C 109.5 . . ?
C58A C60A H60A 109.5 . . ?
C58A C60A H60B 109.5 . . ?
H60A C60A H60B 109.5 . . ?
C58A C60A H60C 109.5 . . ?
H60A C60A H60C 109.5 . . ?
H60B C60A H60C 109.5 . . ?
C62A C61A C66A 122.29(17) . . ?
C62A C61A N6 118.33(16) . . ?
C66A C61A N6 119.38(17) . . ?
C63A C62A C61A 117.69(18) . . ?
C63A C62A C67A 121.07(18) . . ?
C61A C62A C67A 121.23(17) . . ?
C64A C63A C62A 121.65(19) . . ?
C64A C63A H63A 119.2 . . ?
C62A C63A H63A 119.2 . . ?
C65A C64A C63A 118.69(18) . . ?
C65A C64A C68A 120.99(19) . . ?
C63A C64A C68A 120.29(19) . . ?
C66A C65A C64A 121.96(18) . . ?
C66A C65A H65A 119.0 . . ?
C64A C65A H65A 119.0 . . ?
C65A C66A C61A 117.72(18) . . ?
C65A C66A C69A 121.00(18) . . ?
C61A C66A C69A 121.27(18) . . ?
C62A C67A H67A 109.5 . . ?
C62A C67A H67B 109.5 . . ?
H67A C67A H67B 109.5 . . ?
C62A C67A H67C 109.5 . . ?
H67A C67A H67C 109.5 . . ?
H67B C67A H67C 109.5 . . ?
C64A C68A H68A 109.5 . . ?
C64A C68A H68B 109.5 . . ?
H68A C68A H68B 109.5 . . ?
C64A C68A H68C 109.5 . . ?
H68A C68A H68C 109.5 . . ?
H68B C68A H68C 109.5 . . ?
C66A C69A H69A 109.5 . . ?
C66A C69A H69B 109.5 . . ?
H69A C69A H69B 109.5 . . ?
C66A C69A H69C 109.5 . . ?
H69A C69A H69C 109.5 . . ?
H69B C69A H69C 109.5 . . ?
C75A C70A C71A 122.14(17) . . ?
C75A C70A N7 119.02(17) . . ?
C71A C70A N7 118.78(16) . . ?
C72A C71A C70A 117.73(17) . . ?
C72A C71A C76A 120.94(17) . . ?
C70A C71A C76A 121.33(17) . . ?
C71A C72A C73A 121.86(18) . . ?
C71A C72A H72A 119.1 . . ?
C73A C72A H72A 119.1 . . ?
C74A C73A C72A 118.41(18) . . ?
C74A C73A C77A 120.39(19) . . ?
C72A C73A C77A 121.19(19) . . ?
C75A C74A C73A 121.87(18) . . ?
C75A C74A H74A 119.1 . . ?
C73A C74A H74A 119.1 . . ?
C74A C75A C70A 117.97(18) . . ?
C74A C75A C78A 120.45(19) . . ?
C70A C75A C78A 121.59(19) . . ?
C71A C76A H76A 109.5 . . ?
C71A C76A H76B 109.5 . . ?
H76A C76A H76B 109.5 . . ?
C71A C76A H76C 109.5 . . ?
H76A C76A H76C 109.5 . . ?
H76B C76A H76C 109.5 . . ?
C73A C77A H77A 109.5 . . ?
C73A C77A H77B 109.5 . . ?
H77A C77A H77B 109.5 . . ?
C73A C77A H77C 109.5 . . ?
H77A C77A H77C 109.5 . . ?
H77B C77A H77C 109.5 . . ?
C75A C78A H78A 109.5 . . ?
C75A C78A H78B 109.5 . . ?
H78A C78A H78B 109.5 . . ?
C75A C78A H78C 109.5 . . ?
H78A C78A H78C 109.5 . . ?
H78B C78A H78C 109.5 . . ?
N7 C79A C80A 123.02(17) . . ?
N7 C79A C82A 118.21(18) . . ?
C80A C79A C82A 118.77(17) . . ?
C79A C80A C81A 129.05(18) . . ?
C79A C80A H80A 115.5 . . ?
C81A C80A H80A 115.5 . . ?
N8 C81A C80A 122.96(17) . . ?
N8 C81A C83A 118.93(18) . . ?
C80A C81A C83A 118.11(17) . . ?
C79A C82A H82A 109.5 . . ?
C79A C82A H82B 109.5 . . ?
H82A C82A H82B 109.5 . . ?
C79A C82A H82C 109.5 . . ?
H82A C82A H82C 109.5 . . ?
H82B C82A H82C 109.5 . . ?
C81A C83A H83A 109.5 . . ?
C81A C83A H83B 109.5 . . ?
H83A C83A H83B 109.5 . . ?
C81A C83A H83C 109.5 . . ?
H83A C83A H83C 109.5 . . ?
H83B C83A H83C 109.5 . . ?
C89A C84A C85A 122.06(17) . . ?
C89A C84A N8 119.41(17) . . ?
C85A C84A N8 118.49(16) . . ?
C86A C85A C84A 117.67(18) . . ?
C86A C85A C90A 120.69(18) . . ?
C84A C85A C90A 121.62(17) . . ?
C85A C86A C87A 122.04(19) . . ?
C85A C86A H86A 119.0 . . ?
C87A C86A H86A 119.0 . . ?
C88A C87A C86A 118.38(18) . . ?
C88A C87A C91A 121.41(19) . . ?
C86A C87A C91A 120.2(2) . . ?
C89A C88A C87A 121.99(18) . . ?
C89A C88A H88A 119.0 . . ?
C87A C88A H88A 119.0 . . ?
C88A C89A C84A 117.83(18) . . ?
C88A C89A C92A 121.21(18) . . ?
C84A C89A C92A 120.90(18) . . ?
C85A C90A H90A 109.5 . . ?
C85A C90A H90B 109.5 . . ?
H90A C90A H90B 109.5 . . ?
C85A C90A H90C 109.5 . . ?
H90A C90A H90C 109.5 . . ?
H90B C90A H90C 109.5 . . ?
C87A C91A H91A 109.5 . . ?
C87A C91A H91B 109.5 . . ?
H91A C91A H91B 109.5 . . ?
C87A C91A H91C 109.5 . . ?
H91A C91A H91C 109.5 . . ?
H91B C91A H91C 109.5 . . ?
C89A C92A H92A 109.5 . . ?
C89A C92A H92B 109.5 . . ?
H92A C92A H92B 109.5 . . ?
C89A C92A H92C 109.5 . . ?
H92A C92A H92C 109.5 . . ?
H92B C92A H92C 109.5 . . ?
C1_1 O1_1 Al1 146.5(3) . . ?
O1_1 C1_1 C3_1 111.2(2) . . ?
O1_1 C1_1 C4_1 110.7(2) . . ?
C3_1 C1_1 C4_1 109.3(2) . . ?
O1_1 C1_1 C2_1 107.9(2) . . ?
C3_1 C1_1 C2_1 108.1(2) . . ?
C4_1 C1_1 C2_1 109.6(2) . . ?
F1_1 C2_1 F3_1 108.8(3) . . ?
F1_1 C2_1 F2_1 109.1(3) . . ?
F3_1 C2_1 F2_1 106.2(3) . . ?
F1_1 C2_1 C1_1 109.9(3) . . ?
F3_1 C2_1 C1_1 111.2(3) . . ?
F2_1 C2_1 C1_1 111.6(2) . . ?
F5_1 C3_1 F4_1 107.0(2) . . ?
F5_1 C3_1 F6_1 107.8(2) . . ?
F4_1 C3_1 F6_1 106.4(2) . . ?
F5_1 C3_1 C1_1 111.6(2) . . ?
F4_1 C3_1 C1_1 110.1(2) . . ?
F6_1 C3_1 C1_1 113.6(2) . . ?
F7_1 C4_1 F9_1 108.2(3) . . ?
F7_1 C4_1 F8_1 107.9(3) . . ?
F9_1 C4_1 F8_1 107.0(2) . . ?
F7_1 C4_1 C1_1 110.4(2) . . ?
F9_1 C4_1 C1_1 110.6(3) . . ?
F8_1 C4_1 C1_1 112.5(3) . . ?
C1_2 O1_2 Al1 147.20(14) . . ?
O1_2 C1_2 C4_2 111.13(19) . . ?
O1_2 C1_2 C3_2 111.47(17) . . ?
C4_2 C1_2 C3_2 109.1(2) . . ?
O1_2 C1_2 C2_2 108.12(17) . . ?
C4_2 C1_2 C2_2 109.9(2) . . ?
C3_2 C1_2 C2_2 107.1(2) . . ?
F1_2 C2_2 F2_2 107.8(2) . . ?
F1_2 C2_2 F3_2 108.5(2) . . ?
F2_2 C2_2 F3_2 108.4(2) . . ?
F1_2 C2_2 C1_2 110.6(2) . . ?
F2_2 C2_2 C1_2 111.3(2) . . ?
F3_2 C2_2 C1_2 110.1(2) . . ?
F5_2 C3_2 F4_2 107.1(2) . . ?
F5_2 C3_2 F6_2 108.2(2) . . ?
F4_2 C3_2 F6_2 107.6(2) . . ?
F5_2 C3_2 C1_2 111.5(2) . . ?
F4_2 C3_2 C1_2 110.1(2) . . ?
F6_2 C3_2 C1_2 112.11(19) . . ?
F7_2 C4_2 F8_2 107.2(2) . . ?
F7_2 C4_2 F9_2 108.7(2) . . ?
F8_2 C4_2 F9_2 108.6(2) . . ?
F7_2 C4_2 C1_2 110.5(2) . . ?
F8_2 C4_2 C1_2 112.9(2) . . ?
F9_2 C4_2 C1_2 108.9(2) . . ?
C1_3 O1_3 Al1 146.58(13) . . ?
O1_3 C1_3 C4_3 110.82(18) . . ?
O1_3 C1_3 C3_3 108.06(15) . . ?
C4_3 C1_3 C3_3 109.20(16) . . ?
O1_3 C1_3 C2_3 111.06(16) . . ?
C4_3 C1_3 C2_3 108.98(18) . . ?
C3_3 C1_3 C2_3 108.69(17) . . ?
F3_3 C2_3 F2_3 107.9(2) . . ?
F3_3 C2_3 F1_3 107.52(19) . . ?
F2_3 C2_3 F1_3 107.68(19) . . ?
F3_3 C2_3 C1_3 110.45(18) . . ?
F2_3 C2_3 C1_3 112.76(19) . . ?
F1_3 C2_3 C1_3 110.32(19) . . ?
F5_3 C3_3 F4_3 106.83(17) . . ?
F5_3 C3_3 F6_3 107.01(18) . . ?
F4_3 C3_3 F6_3 107.85(18) . . ?
F5_3 C3_3 C1_3 111.20(17) . . ?
F4_3 C3_3 C1_3 110.82(18) . . ?
F6_3 C3_3 C1_3 112.84(17) . . ?
F9_3 C4_3 F7_3 107.1(2) . . ?
F9_3 C4_3 F8_3 108.01(18) . . ?
F7_3 C4_3 F8_3 107.6(2) . . ?
F9_3 C4_3 C1_3 110.73(17) . . ?
F7_3 C4_3 C1_3 110.81(18) . . ?
F8_3 C4_3 C1_3 112.4(2) . . ?
C1_4 O1_4 Al1 145.7(5) . . ?
O1_4 C1_4 C4_4 112.3(4) . . ?
O1_4 C1_4 C3_4 110.4(4) . . ?
C4_4 C1_4 C3_4 108.5(2) . . ?
O1_4 C1_4 C2_4 107.5(4) . . ?
C4_4 C1_4 C2_4 108.9(2) . . ?
C3_4 C1_4 C2_4 109.1(2) . . ?
F3_4 C2_4 F1_4 107.6(3) . . ?
F3_4 C2_4 F2_4 107.0(4) . . ?
F1_4 C2_4 F2_4 107.6(4) . . ?
F3_4 C2_4 C1_4 111.0(3) . . ?
F1_4 C2_4 C1_4 111.1(3) . . ?
F2_4 C2_4 C1_4 112.3(3) . . ?
F4_4 C3_4 F6_4 108.1(2) . . ?
F4_4 C3_4 F5_4 107.7(3) . . ?
F6_4 C3_4 F5_4 107.0(3) . . ?
F4_4 C3_4 C1_4 110.7(2) . . ?
F6_4 C3_4 C1_4 113.0(3) . . ?
F5_4 C3_4 C1_4 110.2(2) . . ?
F9_4 C4_4 F7_4 107.8(2) . . ?
F9_4 C4_4 F8_4 108.1(2) . . ?
F7_4 C4_4 F8_4 107.2(2) . . ?
F9_4 C4_4 C1_4 110.4(2) . . ?
F7_4 C4_4 C1_4 111.0(2) . . ?
F8_4 C4_4 C1_4 112.3(2) . . ?
C1_5 O1_5 Al2 149.8(7) . . ?
O1_5 C1_5 C4_5 110.4(5) . . ?
O1_5 C1_5 C2_5 112.3(6) . . ?
C4_5 C1_5 C2_5 109.7(3) . . ?
O1_5 C1_5 C3_5 107.1(5) . . ?
C4_5 C1_5 C3_5 109.5(3) . . ?
C2_5 C1_5 C3_5 107.7(4) . . ?
F3_5 C2_5 F1_5 107.3(4) . . ?
F3_5 C2_5 F2_5 106.2(4) . . ?
F1_5 C2_5 F2_5 107.7(5) . . ?
F3_5 C2_5 C1_5 111.5(4) . . ?
F1_5 C2_5 C1_5 111.9(4) . . ?
F2_5 C2_5 C1_5 112.0(3) . . ?
F6_5 C3_5 F4_5 107.9(3) . . ?
F6_5 C3_5 F5_5 107.5(4) . . ?
F4_5 C3_5 F5_5 108.0(4) . . ?
F6_5 C3_5 C1_5 113.4(4) . . ?
F4_5 C3_5 C1_5 110.2(3) . . ?
F5_5 C3_5 C1_5 109.6(4) . . ?
F9_5 C4_5 F8_5 108.1(3) . . ?
F9_5 C4_5 F7_5 108.5(3) . . ?
F8_5 C4_5 F7_5 106.8(4) . . ?
F9_5 C4_5 C1_5 111.2(3) . . ?
F8_5 C4_5 C1_5 113.0(4) . . ?
F7_5 C4_5 C1_5 109.0(4) . . ?
C1_6 O1_6 Al2 146.37(16) . . ?
O1_6 C1_6 C3_6 110.89(19) . . ?
O1_6 C1_6 C2_6 111.4(2) . . ?
C3_6 C1_6 C2_6 108.8(2) . . ?
O1_6 C1_6 C4_6 108.19(19) . . ?
C3_6 C1_6 C4_6 108.9(2) . . ?
C2_6 C1_6 C4_6 108.7(2) . . ?
F3_6 C2_6 F2_6 108.5(2) . . ?
F3_6 C2_6 F1_6 107.5(3) . . ?
F2_6 C2_6 F1_6 107.4(2) . . ?
F3_6 C2_6 C1_6 110.5(2) . . ?
F2_6 C2_6 C1_6 113.5(2) . . ?
F1_6 C2_6 C1_6 109.2(2) . . ?
F4_6 C3_6 F6_6 108.7(2) . . ?
F4_6 C3_6 F5_6 106.5(2) . . ?
F6_6 C3_6 F5_6 107.1(2) . . ?
F4_6 C3_6 C1_6 111.6(2) . . ?
F6_6 C3_6 C1_6 112.9(2) . . ?
F5_6 C3_6 C1_6 109.7(2) . . ?
F9_6 C4_6 F8_6 108.4(3) . . ?
F9_6 C4_6 F7_6 107.2(3) . . ?
F8_6 C4_6 F7_6 108.0(3) . . ?
F9_6 C4_6 C1_6 111.4(2) . . ?
F8_6 C4_6 C1_6 112.1(2) . . ?
F7_6 C4_6 C1_6 109.7(3) . . ?
C1_7 O1_7 Al2 144.3(6) . . ?
O1_7 C1_7 C4_7 111.0(4) . . ?
O1_7 C1_7 C2_7 111.3(4) . . ?
C4_7 C1_7 C2_7 108.4(3) . . ?
O1_7 C1_7 C3_7 107.9(4) . . ?
C4_7 C1_7 C3_7 109.1(3) . . ?
C2_7 C1_7 C3_7 109.1(3) . . ?
F1_7 C2_7 F3_7 106.6(3) . . ?
F1_7 C2_7 F2_7 107.1(3) . . ?
F3_7 C2_7 F2_7 106.9(3) . . ?
F1_7 C2_7 C1_7 110.9(3) . . ?
F3_7 C2_7 C1_7 111.6(3) . . ?
F2_7 C2_7 C1_7 113.4(3) . . ?
F5_7 C3_7 F4_7 107.0(4) . . ?
F5_7 C3_7 F6_7 108.1(4) . . ?
F4_7 C3_7 F6_7 108.0(3) . . ?
F5_7 C3_7 C1_7 111.1(4) . . ?
F4_7 C3_7 C1_7 110.6(3) . . ?
F6_7 C3_7 C1_7 111.8(3) . . ?
F7_7 C4_7 F9_7 106.9(3) . . ?
F7_7 C4_7 F8_7 107.6(4) . . ?
F9_7 C4_7 F8_7 107.2(3) . . ?
F7_7 C4_7 C1_7 111.6(3) . . ?
F9_7 C4_7 C1_7 111.7(3) . . ?
F8_7 C4_7 C1_7 111.7(3) . . ?
C1_8 O1_8 Al2 147.3(3) . . ?
O1_8 C1_8 C3_8 108.1(3) . . ?
O1_8 C1_8 C2_8 111.3(3) . . ?
C3_8 C1_8 C2_8 110.7(3) . . ?
O1_8 C1_8 C4_8 110.4(3) . . ?
C3_8 C1_8 C4_8 107.6(2) . . ?
C2_8 C1_8 C4_8 108.7(3) . . ?
F3_8 C2_8 F1_8 108.7(3) . . ?
F3_8 C2_8 F2_8 108.1(3) . . ?
F1_8 C2_8 F2_8 107.7(3) . . ?
F3_8 C2_8 C1_8 109.8(3) . . ?
F1_8 C2_8 C1_8 110.3(3) . . ?
F2_8 C2_8 C1_8 112.1(3) . . ?
F4_8 C3_8 F5_8 107.9(3) . . ?
F4_8 C3_8 F6_8 107.9(4) . . ?
F5_8 C3_8 F6_8 106.2(3) . . ?
F4_8 C3_8 C1_8 111.9(3) . . ?
F5_8 C3_8 C1_8 110.2(3) . . ?
F6_8 C3_8 C1_8 112.4(3) . . ?
F7_8 C4_8 F9_8 107.9(3) . . ?
F7_8 C4_8 F8_8 107.8(3) . . ?
F9_8 C4_8 F8_8 107.9(3) . . ?
F7_8 C4_8 C1_8 111.1(2) . . ?
F9_8 C4_8 C1_8 109.4(3) . . ?
F8_8 C4_8 C1_8 112.5(3) . . ?
C1_9 O1_9 Al3 147.47(14) . . ?
O1_9 C1_9 C2_9 111.04(17) . . ?
O1_9 C1_9 C3_9 108.59(17) . . ?
C2_9 C1_9 C3_9 108.69(18) . . ?
O1_9 C1_9 C4_9 110.56(17) . . ?
C2_9 C1_9 C4_9 109.61(19) . . ?
C3_9 C1_9 C4_9 108.28(18) . . ?
F1_9 C2_9 F2_9 109.4(2) . . ?
F1_9 C2_9 F3_9 106.4(2) . . ?
F2_9 C2_9 F3_9 107.2(2) . . ?
F1_9 C2_9 C1_9 110.87(19) . . ?
F2_9 C2_9 C1_9 112.3(2) . . ?
F3_9 C2_9 C1_9 110.5(2) . . ?
F5_9 C3_9 F4_9 106.6(2) . . ?
F5_9 C3_9 F6_9 109.1(2) . . ?
F4_9 C3_9 F6_9 106.12(19) . . ?
F5_9 C3_9 C1_9 111.56(19) . . ?
F4_9 C3_9 C1_9 111.36(19) . . ?
F6_9 C3_9 C1_9 111.8(2) . . ?
F7_9 C4_9 F8_9 109.0(2) . . ?
F7_9 C4_9 F9_9 107.6(2) . . ?
F8_9 C4_9 F9_9 105.91(19) . . ?
F7_9 C4_9 C1_9 111.18(19) . . ?
F8_9 C4_9 C1_9 113.24(19) . . ?
F9_9 C4_9 C1_9 109.6(2) . . ?
C1_10 O1_10 Al3 147.71(14) . . ?
O1_10 C1_10 C4_10 111.02(18) . . ?
O1_10 C1_10 C2_10 111.14(17) . . ?
C4_10 C1_10 C2_10 109.09(18) . . ?
O1_10 C1_10 C3_10 107.78(16) . . ?
C4_10 C1_10 C3_10 109.16(18) . . ?
C2_10 C1_10 C3_10 108.59(18) . . ?
F3_10 C2_10 F1_10 107.3(2) . . ?
F3_10 C2_10 F2_10 107.9(2) . . ?
F1_10 C2_10 F2_10 107.56(18) . . ?
F3_10 C2_10 C1_10 110.59(18) . . ?
F1_10 C2_10 C1_10 110.7(2) . . ?
F2_10 C2_10 C1_10 112.59(19) . . ?
F4_10 C3_10 F5_10 108.07(18) . . ?
F4_10 C3_10 F6_10 107.39(19) . . ?
F5_10 C3_10 F6_10 106.84(18) . . ?
F4_10 C3_10 C1_10 110.99(18) . . ?
F5_10 C3_10 C1_10 110.86(18) . . ?
F6_10 C3_10 C1_10 112.48(17) . . ?
F7_10 C4_10 F9_10 107.8(2) . . ?
F7_10 C4_10 F8_10 107.5(2) . . ?
F9_10 C4_10 F8_10 107.4(2) . . ?
F7_10 C4_10 C1_10 111.07(19) . . ?
F9_10 C4_10 C1_10 110.51(18) . . ?
F8_10 C4_10 C1_10 112.4(2) . . ?
C1_11 O1_11 Al3 148.09(13) . . ?
O1_11 C1_11 C4_11 109.60(16) . . ?
O1_11 C1_11 C3_11 111.14(16) . . ?
C4_11 C1_11 C3_11 109.84(17) . . ?
O1_11 C1_11 C2_11 107.97(16) . . ?
C4_11 C1_11 C2_11 109.31(17) . . ?
C3_11 C1_11 C2_11 108.95(17) . . ?
F1_11 C2_11 F3_11 107.35(19) . . ?
F1_11 C2_11 F2_11 107.40(19) . . ?
F3_11 C2_11 F2_11 107.73(19) . . ?
F1_11 C2_11 C1_11 110.85(18) . . ?
F3_11 C2_11 C1_11 111.34(18) . . ?
F2_11 C2_11 C1_11 111.96(18) . . ?
F5_11 C3_11 F6_11 108.03(19) . . ?
F5_11 C3_11 F4_11 107.18(18) . . ?
F6_11 C3_11 F4_11 108.16(18) . . ?
F5_11 C3_11 C1_11 110.46(17) . . ?
F6_11 C3_11 C1_11 112.38(17) . . ?
F4_11 C3_11 C1_11 110.45(18) . . ?
F8_11 C4_11 F7_11 107.20(19) . . ?
F8_11 C4_11 F9_11 107.46(18) . . ?
F7_11 C4_11 F9_11 107.5(2) . . ?
F8_11 C4_11 C1_11 113.75(19) . . ?
F7_11 C4_11 C1_11 110.66(17) . . ?
F9_11 C4_11 C1_11 110.00(18) . . ?
C1_12 O1_12 Al3 145.35(14) . . ?
O1_12 C1_12 C3_12 109.93(18) . . ?
O1_12 C1_12 C2_12 112.43(18) . . ?
C3_12 C1_12 C2_12 109.23(18) . . ?
O1_12 C1_12 C4_12 107.66(17) . . ?
C3_12 C1_12 C4_12 108.98(18) . . ?
C2_12 C1_12 C4_12 108.54(18) . . ?
F1_12 C2_12 F2_12 107.9(2) . . ?
F1_12 C2_12 F3_12 107.4(2) . . ?
F2_12 C2_12 F3_12 107.63(18) . . ?
F1_12 C2_12 C1_12 110.38(18) . . ?
F2_12 C2_12 C1_12 112.4(2) . . ?
F3_12 C2_12 C1_12 110.94(19) . . ?
F5_12 C3_12 F4_12 107.1(2) . . ?
F5_12 C3_12 F6_12 107.4(2) . . ?
F4_12 C3_12 F6_12 107.12(19) . . ?
F5_12 C3_12 C1_12 111.22(18) . . ?
F4_12 C3_12 C1_12 111.18(19) . . ?
F6_12 C3_12 C1_12 112.5(2) . . ?
F7_12 C4_12 F9_12 108.2(2) . . ?
F7_12 C4_12 F8_12 106.9(2) . . ?
F9_12 C4_12 F8_12 107.8(2) . . ?
F7_12 C4_12 C1_12 110.96(19) . . ?
F9_12 C4_12 C1_12 110.42(19) . . ?
F8_12 C4_12 C1_12 112.34(19) . . ?
C1_13 O1_13 Al4 149.2(6) . . ?
O1_13 C1_13 C4_13 106.1(5) . . ?
O1_13 C1_13 C3_13 111.0(5) . . ?
C4_13 C1_13 C3_13 108.2(4) . . ?
O1_13 C1_13 C2_13 111.0(5) . . ?
C4_13 C1_13 C2_13 109.3(4) . . ?
C3_13 C1_13 C2_13 111.1(4) . . ?
F1_13 C2_13 F2_13 108.1(4) . . ?
F1_13 C2_13 F3_13 108.5(4) . . ?
F2_13 C2_13 F3_13 106.4(4) . . ?
F1_13 C2_13 C1_13 112.5(4) . . ?
F2_13 C2_13 C1_13 111.3(4) . . ?
F3_13 C2_13 C1_13 109.9(4) . . ?
F4_13 C3_13 F5_13 106.9(5) . . ?
F4_13 C3_13 F6_13 108.7(6) . . ?
F5_13 C3_13 F6_13 107.6(6) . . ?
F4_13 C3_13 C1_13 111.7(5) . . ?
F5_13 C3_13 C1_13 109.4(5) . . ?
F6_13 C3_13 C1_13 112.3(5) . . ?
F7_13 C4_13 F9_13 109.0(4) . . ?
F7_13 C4_13 F8_13 107.7(4) . . ?
F9_13 C4_13 F8_13 106.8(4) . . ?
F7_13 C4_13 C1_13 112.0(4) . . ?
F9_13 C4_13 C1_13 109.8(4) . . ?
F8_13 C4_13 C1_13 111.3(4) . . ?
C1_14 O1_14 Al4 147.7(3) . . ?
O1_14 C1_14 C3_14 111.8(4) . . ?
O1_14 C1_14 C2_14 110.2(3) . . ?
C3_14 C1_14 C2_14 109.4(4) . . ?
O1_14 C1_14 C4_14 107.4(3) . . ?
C3_14 C1_14 C4_14 110.0(4) . . ?
C2_14 C1_14 C4_14 107.9(3) . . ?
F1_14 C2_14 F3_14 107.0(3) . . ?
F1_14 C2_14 F2_14 106.8(3) . . ?
F3_14 C2_14 F2_14 107.8(3) . . ?
F1_14 C2_14 C1_14 112.0(3) . . ?
F3_14 C2_14 C1_14 110.4(3) . . ?
F2_14 C2_14 C1_14 112.6(3) . . ?
F4_14 C3_14 F6_14 108.9(5) . . ?
F4_14 C3_14 F5_14 108.4(5) . . ?
F6_14 C3_14 F5_14 106.7(5) . . ?
F4_14 C3_14 C1_14 109.4(4) . . ?
F6_14 C3_14 C1_14 113.6(4) . . ?
F5_14 C3_14 C1_14 109.7(4) . . ?
F9_14 C4_14 F7_14 108.9(4) . . ?
F9_14 C4_14 F8_14 107.4(4) . . ?
F7_14 C4_14 F8_14 106.7(3) . . ?
F9_14 C4_14 C1_14 111.8(3) . . ?
F7_14 C4_14 C1_14 110.0(4) . . ?
F8_14 C4_14 C1_14 111.9(3) . . ?
C1_15 O1_15 Al4 145.5(3) . . ?
O1_15 C1_15 C2_15 112.4(4) . . ?
O1_15 C1_15 C3_15 109.1(3) . . ?
C2_15 C1_15 C3_15 108.4(3) . . ?
O1_15 C1_15 C4_15 109.5(3) . . ?
C2_15 C1_15 C4_15 109.5(4) . . ?
C3_15 C1_15 C4_15 107.8(4) . . ?
F1_15 C2_15 F3_15 107.6(3) . . ?
F1_15 C2_15 F2_15 108.0(3) . . ?
F3_15 C2_15 F2_15 106.4(4) . . ?
F1_15 C2_15 C1_15 112.2(4) . . ?
F3_15 C2_15 C1_15 108.9(3) . . ?
F2_15 C2_15 C1_15 113.3(3) . . ?
F6_15 C3_15 F5_15 108.3(3) . . ?
F6_15 C3_15 F4_15 107.4(3) . . ?
F5_15 C3_15 F4_15 107.4(3) . . ?
F6_15 C3_15 C1_15 112.8(3) . . ?
F5_15 C3_15 C1_15 110.7(3) . . ?
F4_15 C3_15 C1_15 110.0(3) . . ?
F7_15 C4_15 F8_15 109.0(4) . . ?
F7_15 C4_15 F9_15 109.1(4) . . ?
F8_15 C4_15 F9_15 106.7(4) . . ?
F7_15 C4_15 C1_15 111.8(4) . . ?
F8_15 C4_15 C1_15 112.0(4) . . ?
F9_15 C4_15 C1_15 108.1(4) . . ?
C1_16 O1_16 Al4 149.6(3) . . ?
O1_16 C1_16 C2_16 111.4(3) . . ?
O1_16 C1_16 C3_16 110.8(3) . . ?
C2_16 C1_16 C3_16 110.3(3) . . ?
O1_16 C1_16 C4_16 111.0(3) . . ?
C2_16 C1_16 C4_16 106.6(3) . . ?
C3_16 C1_16 C4_16 106.6(3) . . ?
F2_16 C2_16 F1_16 108.8(3) . . ?
F2_16 C2_16 F3_16 106.8(3) . . ?
F1_16 C2_16 F3_16 106.1(4) . . ?
F2_16 C2_16 C1_16 114.5(3) . . ?
F1_16 C2_16 C1_16 111.1(3) . . ?
F3_16 C2_16 C1_16 109.1(3) . . ?
F6_16 C3_16 F5_16 108.0(3) . . ?
F6_16 C3_16 F4_16 107.4(3) . . ?
F5_16 C3_16 F4_16 108.2(3) . . ?
F6_16 C3_16 C1_16 113.1(3) . . ?
F5_16 C3_16 C1_16 109.3(3) . . ?
F4_16 C3_16 C1_16 110.7(3) . . ?
F7_16 C4_16 F9_16 107.1(3) . . ?
F7_16 C4_16 F8_16 109.5(3) . . ?
F9_16 C4_16 F8_16 107.6(3) . . ?
F7_16 C4_16 C1_16 109.4(3) . . ?
F9_16 C4_16 C1_16 110.7(3) . . ?
F8_16 C4_16 C1_16 112.4(3) . . ?
F1_17 C1_17 C2_17 118.8(3) . . ?
F1_17 C1_17 C6_17 121.1(3) . . ?
C2_17 C1_17 C6_17 120.1(3) . . ?
F2_17 C2_17 C1_17 119.4(2) . . ?
F2_17 C2_17 C3_17 119.7(2) . . ?
C1_17 C2_17 C3_17 120.9(2) . . ?
C4_17 C3_17 C2_17 119.7(2) . . ?
C4_17 C3_17 H3_17 120.1 . . ?
C2_17 C3_17 H3_17 120.1 . . ?
C3_17 C4_17 C5_17 119.7(3) . . ?
C3_17 C4_17 H4_17 120.2 . . ?
C5_17 C4_17 H4_17 120.2 . . ?
C6_17 C5_17 C4_17 120.0(3) . . ?
C6_17 C5_17 H5_17 120.0 . . ?
C4_17 C5_17 H5_17 120.0 . . ?
C1_17 C6_17 C5_17 119.5(3) . . ?
C1_17 C6_17 H6_17 120.2 . . ?
C5_17 C6_17 H6_17 120.2 . . ?
F1_18 C1_18 C2_18 119.1(3) . . ?
F1_18 C1_18 C6_18 119.5(3) . . ?
C2_18 C1_18 C6_18 121.4(3) . . ?
F2_18 C2_18 C3_18 119.6(3) . . ?
F2_18 C2_18 C1_18 120.1(3) . . ?
C3_18 C2_18 C1_18 120.3(3) . . ?
C2_18 C3_18 C4_18 119.0(3) . . ?
C2_18 C3_18 H3_18 120.5 . . ?
C4_18 C3_18 H3_18 120.5 . . ?
C5_18 C4_18 C3_18 120.8(3) . . ?
C5_18 C4_18 H4_18 119.6 . . ?
C3_18 C4_18 H4_18 119.6 . . ?
C4_18 C5_18 C6_18 120.4(3) . . ?
C4_18 C5_18 H5_18 119.8 . . ?
C6_18 C5_18 H5_18 119.8 . . ?
C1_18 C6_18 C5_18 118.1(3) . . ?
C1_18 C6_18 H6_18 121.0 . . ?
C5_18 C6_18 H6_18 121.0 . . ?
F1_19 C1_19 C6_19 120.3(3) . . ?
F1_19 C1_19 C2_19 118.7(3) . . ?
C6_19 C1_19 C2_19 121.0(3) . . ?
F2_19 C2_19 C1_19 118.9(3) . . ?
F2_19 C2_19 C3_19 120.4(3) . . ?
C1_19 C2_19 C3_19 120.7(3) . . ?
C4_19 C3_19 C2_19 118.4(3) . . ?
C4_19 C3_19 H3_19 120.8 . . ?
C2_19 C3_19 H3_19 120.8 . . ?
C3_19 C4_19 C5_19 121.0(3) . . ?
C3_19 C4_19 H4_19 119.5 . . ?
C5_19 C4_19 H4_19 119.5 . . ?
C6_19 C5_19 C4_19 120.2(3) . . ?
C6_19 C5_19 H5_19 119.9 . . ?
C4_19 C5_19 H5_19 119.9 . . ?
C1_19 C6_19 C5_19 118.8(3) . . ?
C1_19 C6_19 H6_19 120.6 . . ?
C5_19 C6_19 H6_19 120.6 . . ?
C1_20 O1_20 Al4 151.2(6) . . ?
O1_20 C1_20 C4_20 108.6(8) . . ?
O1_20 C1_20 C3_20 110.5(7) . . ?
C4_20 C1_20 C3_20 111.8(7) . . ?
O1_20 C1_20 C2_20 108.7(7) . . ?
C4_20 C1_20 C2_20 109.1(7) . . ?
C3_20 C1_20 C2_20 108.1(7) . . ?
F2_20 C2_20 F3_20 106.9(8) . . ?
F2_20 C2_20 F1_20 108.6(8) . . ?
F3_20 C2_20 F1_20 109.9(7) . . ?
F2_20 C2_20 C1_20 110.5(7) . . ?
F3_20 C2_20 C1_20 111.4(7) . . ?
F1_20 C2_20 C1_20 109.6(7) . . ?
F5_20 C3_20 F6_20 107.9(7) . . ?
F5_20 C3_20 F4_20 107.1(7) . . ?
F6_20 C3_20 F4_20 107.4(6) . . ?
F5_20 C3_20 C1_20 113.4(6) . . ?
F6_20 C3_20 C1_20 112.6(7) . . ?
F4_20 C3_20 C1_20 108.2(7) . . ?
F9_20 C4_20 F8_20 109.6(8) . . ?
F9_20 C4_20 F7_20 108.7(8) . . ?
F8_20 C4_20 F7_20 106.1(8) . . ?
F9_20 C4_20 C1_20 110.5(7) . . ?
F8_20 C4_20 C1_20 111.4(8) . . ?
F7_20 C4_20 C1_20 110.4(8) . . ?
C1_21 O1_21 Al4 147.3(11) . . ?
O1_21 C1_21 C3_21 113.3(9) . . ?
O1_21 C1_21 C4_21 108.3(10) . . ?
C3_21 C1_21 C4_21 110.2(8) . . ?
O1_21 C1_21 C2_21 107.0(10) . . ?
C3_21 C1_21 C2_21 109.0(9) . . ?
C4_21 C1_21 C2_21 108.8(9) . . ?
F1_21 C2_21 F3_21 109.4(11) . . ?
F1_21 C2_21 F2_21 107.3(11) . . ?
F3_21 C2_21 F2_21 108.0(10) . . ?
F1_21 C2_21 C1_21 111.1(9) . . ?
F3_21 C2_21 C1_21 110.7(10) . . ?
F2_21 C2_21 C1_21 110.3(10) . . ?
F5_21 C3_21 F6_21 108.1(9) . . ?
F5_21 C3_21 F4_21 105.1(9) . . ?
F6_21 C3_21 F4_21 108.7(9) . . ?
F5_21 C3_21 C1_21 112.4(9) . . ?
F6_21 C3_21 C1_21 112.7(8) . . ?
F4_21 C3_21 C1_21 109.6(8) . . ?
F8_21 C4_21 F7_21 108.2(8) . . ?
F8_21 C4_21 F9_21 110.4(9) . . ?
F7_21 C4_21 F9_21 109.1(9) . . ?
F8_21 C4_21 C1_21 111.7(9) . . ?
F7_21 C4_21 C1_21 109.2(8) . . ?
F9_21 C4_21 C1_21 108.1(8) . . ?
C1_22 O1_22 Al2 144.5(14) . . ?
O1_22 C1_22 C3_22 113.6(10) . . ?
O1_22 C1_22 C4_22 108.1(11) . . ?
C3_22 C1_22 C4_22 110.6(8) . . ?
O1_22 C1_22 C2_22 108.0(10) . . ?
C3_22 C1_22 C2_22 108.2(8) . . ?
C4_22 C1_22 C2_22 108.2(7) . . ?
F1_22 C2_22 F3_22 108.0(8) . . ?
F1_22 C2_22 F2_22 107.9(7) . . ?
F3_22 C2_22 F2_22 109.5(9) . . ?
F1_22 C2_22 C1_22 111.6(7) . . ?
F3_22 C2_22 C1_22 108.2(8) . . ?
F2_22 C2_22 C1_22 111.5(7) . . ?
F5_22 C3_22 F6_22 110.5(8) . . ?
F5_22 C3_22 F4_22 103.0(10) . . ?
F6_22 C3_22 F4_22 106.9(10) . . ?
F5_22 C3_22 C1_22 113.1(8) . . ?
F6_22 C3_22 C1_22 112.8(7) . . ?
F4_22 C3_22 C1_22 110.0(10) . . ?
F7_22 C4_22 F8_22 107.0(7) . . ?
F7_22 C4_22 F9_22 111.3(9) . . ?
F8_22 C4_22 F9_22 107.0(10) . . ?
F7_22 C4_22 C1_22 111.1(7) . . ?
F8_22 C4_22 C1_22 112.6(8) . . ?
F9_22 C4_22 C1_22 107.7(10) . . ?
C1_23 O1_23 Al2 151(2) . . ?
O1_23 C1_23 C4_23 110.0(16) . . ?
O1_23 C1_23 C2_23 109.4(16) . . ?
C4_23 C1_23 C2_23 108.8(9) . . ?
O1_23 C1_23 C3_23 110.7(16) . . ?
C4_23 C1_23 C3_23 108.8(9) . . ?
C2_23 C1_23 C3_23 109.2(9) . . ?
F2_23 C2_23 F1_23 106.4(10) . . ?
F2_23 C2_23 F3_23 108.4(15) . . ?
F1_23 C2_23 F3_23 103.9(14) . . ?
F2_23 C2_23 C1_23 114.7(10) . . ?
F1_23 C2_23 C1_23 111.3(9) . . ?
F3_23 C2_23 C1_23 111.4(15) . . ?
F5_23 C3_23 F6_23 108.4(10) . . ?
F5_23 C3_23 F4_23 103.3(11) . . ?
F6_23 C3_23 F4_23 110.5(12) . . ?
F5_23 C3_23 C1_23 111.5(9) . . ?
F6_23 C3_23 C1_23 112.8(9) . . ?
F4_23 C3_23 C1_23 109.9(12) . . ?
F8_23 C4_23 F9_23 107.9(11) . . ?
F8_23 C4_23 F7_23 108.4(10) . . ?
F9_23 C4_23 F7_23 104.2(11) . . ?
F8_23 C4_23 C1_23 111.7(10) . . ?
F9_23 C4_23 C1_23 112.1(10) . . ?
F7_23 C4_23 C1_23 112.2(9) . . ?
F7_30 F7_23 C4_23 151.3(14) . . ?
C1_24 O1_24 Al4 145.5(8) . . ?
O1_24 C1_24 C3_24 112.7(8) . . ?
O1_24 C1_24 C4_24 109.5(8) . . ?
C3_24 C1_24 C4_24 109.5(8) . . ?
O1_24 C1_24 C2_24 107.5(8) . . ?
C3_24 C1_24 C2_24 109.2(7) . . ?
C4_24 C1_24 C2_24 108.3(8) . . ?
F3_24 C2_24 F2_24 107.5(9) . . ?
F3_24 C2_24 F1_24 108.4(8) . . ?
F2_24 C2_24 F1_24 108.4(9) . . ?
F3_24 C2_24 C1_24 112.7(8) . . ?
F2_24 C2_24 C1_24 107.5(8) . . ?
F1_24 C2_24 C1_24 112.1(8) . . ?
F5_24 C3_24 F4_24 104.2(8) . . ?
F5_24 C3_24 F6_24 110.6(8) . . ?
F4_24 C3_24 F6_24 110.3(8) . . ?
F5_24 C3_24 C1_24 111.6(7) . . ?
F4_24 C3_24 C1_24 111.8(7) . . ?
F6_24 C3_24 C1_24 108.4(7) . . ?
F8_24 C4_24 F7_24 98.8(9) . . ?
F8_24 C4_24 F9_24 115.0(10) . . ?
F7_24 C4_24 F9_24 113.4(9) . . ?
F8_24 C4_24 C1_24 114.3(10) . . ?
F7_24 C4_24 C1_24 110.8(9) . . ?
F9_24 C4_24 C1_24 104.8(8) . . ?
C1_25 O1_25 Al2 155(3) . . ?
O1_25 C1_25 C3_25 111.3(16) . . ?
O1_25 C1_25 C4_25 109.6(17) . . ?
C3_25 C1_25 C4_25 107.4(10) . . ?
O1_25 C1_25 C2_25 108.6(16) . . ?
C3_25 C1_25 C2_25 110.1(10) . . ?
C4_25 C1_25 C2_25 109.8(10) . . ?
F1_25 C2_25 F2_25 110.2(14) . . ?
F1_25 C2_25 F3_25 108.7(12) . . ?
F2_25 C2_25 F3_25 100.8(11) . . ?
F1_25 C2_25 C1_25 112.2(12) . . ?
F2_25 C2_25 C1_25 114.4(12) . . ?
F3_25 C2_25 C1_25 109.9(10) . . ?
F5_25 C3_25 F4_25 108.6(12) . . ?
F5_25 C3_25 F6_25 109.7(17) . . ?
F4_25 C3_25 F6_25 103.5(15) . . ?
F5_25 C3_25 C1_25 109.5(11) . . ?
F4_25 C3_25 C1_25 111.5(11) . . ?
F6_25 C3_25 C1_25 113.8(15) . . ?
F7_25 C4_25 F8_25 113.9(14) . . ?
F7_25 C4_25 F9_25 109.7(12) . . ?
F8_25 C4_25 F9_25 101.8(12) . . ?
F7_25 C4_25 C1_25 113.4(12) . . ?
F8_25 C4_25 C1_25 110.1(12) . . ?
F9_25 C4_25 C1_25 107.0(11) . . ?
F1_26 C1_26 C6_26 120.5(18) . . ?
F1_26 C1_26 C2_26 118.9(17) . . ?
C6_26 C1_26 C2_26 120.6(15) . . ?
F2_26 C2_26 C3_26 120.8(18) . . ?
F2_26 C2_26 C1_26 119.4(17) . . ?
C3_26 C2_26 C1_26 119.8(15) . . ?
C2_26 C3_26 C4_26 119.3(18) . . ?
C2_26 C3_26 H3_26 120.4 . . ?
C4_26 C3_26 H3_26 120.4 . . ?
C3_26 C4_26 C5_26 121.4(18) . . ?
C3_26 C4_26 H4_26 119.3 . . ?
C5_26 C4_26 H4_26 119.3 . . ?
C6_26 C5_26 C4_26 118.9(18) . . ?
C6_26 C5_26 H5_26 120.6 . . ?
C4_26 C5_26 H5_26 120.6 . . ?
C1_26 C6_26 C5_26 120.1(18) . . ?
C1_26 C6_26 H6_26 120.0 . . ?
C5_26 C6_26 H6_26 120.0 . . ?
C1_27 O1_27 Al1 148(2) . . ?
O1_27 C1_27 C3_27 108.9(16) . . ?
O1_27 C1_27 C4_27 110.2(16) . . ?
C3_27 C1_27 C4_27 109.7(9) . . ?
O1_27 C1_27 C2_27 108.0(16) . . ?
C3_27 C1_27 C2_27 108.0(10) . . ?
C4_27 C1_27 C2_27 112.0(10) . . ?
F1_27 C2_27 F3_27 111.1(14) . . ?
F1_27 C2_27 F2_27 107.3(15) . . ?
F3_27 C2_27 F2_27 110.0(17) . . ?
F1_27 C2_27 C1_27 109.3(12) . . ?
F3_27 C2_27 C1_27 107.3(14) . . ?
F2_27 C2_27 C1_27 111.9(15) . . ?
F6_27 C3_27 F4_27 107.3(10) . . ?
F6_27 C3_27 F5_27 109.5(10) . . ?
F4_27 C3_27 F5_27 109.0(11) . . ?
F6_27 C3_27 C1_27 110.6(10) . . ?
F4_27 C3_27 C1_27 109.8(10) . . ?
F5_27 C3_27 C1_27 110.5(9) . . ?
F9_27 C4_27 F8_27 108.0(10) . . ?
F9_27 C4_27 F7_27 109.7(11) . . ?
F8_27 C4_27 F7_27 107.1(10) . . ?
F9_27 C4_27 C1_27 110.1(9) . . ?
F8_27 C4_27 C1_27 111.8(10) . . ?
F7_27 C4_27 C1_27 110.2(10) . . ?
C1_28 O1_28 Al4 151.4(19) . . ?
O1_28 C1_28 C2_28 113.4(14) . . ?
O1_28 C1_28 C3_28 109.0(13) . . ?
C2_28 C1_28 C3_28 108.4(10) . . ?
O1_28 C1_28 C4_28 109.9(13) . . ?
C2_28 C1_28 C4_28 107.4(10) . . ?
C3_28 C1_28 C4_28 108.6(10) . . ?
F2_28 C2_28 F1_28 107.8(13) . . ?
F2_28 C2_28 F3_28 104.3(12) . . ?
F1_28 C2_28 F3_28 105.1(12) . . ?
F2_28 C2_28 C1_28 113.2(11) . . ?
F1_28 C2_28 C1_28 114.3(12) . . ?
F3_28 C2_28 C1_28 111.4(10) . . ?
F4_28 C3_28 F5_28 111.4(14) . . ?
F4_28 C3_28 F6_28 106.0(13) . . ?
F5_28 C3_28 F6_28 103.1(14) . . ?
F4_28 C3_28 C1_28 110.3(11) . . ?
F5_28 C3_28 C1_28 112.0(12) . . ?
F6_28 C3_28 C1_28 113.7(12) . . ?
F9_28 C4_28 F7_28 108.5(12) . . ?
F9_28 C4_28 F8_28 108.0(12) . . ?
F7_28 C4_28 F8_28 103.7(13) . . ?
F9_28 C4_28 C1_28 111.9(10) . . ?
F7_28 C4_28 C1_28 112.0(12) . . ?
F8_28 C4_28 C1_28 112.4(11) . . ?
C1_29 O1_29 Al4 154.5(8) . . ?
O1_29 C1_29 C4_29 111.8(8) . . ?
O1_29 C1_29 C3_29 114.3(8) . . ?
C4_29 C1_29 C3_29 108.2(7) . . ?
O1_29 C1_29 C2_29 105.1(8) . . ?
C4_29 C1_29 C2_29 108.0(7) . . ?
C3_29 C1_29 C2_29 109.3(7) . . ?
F2_29 C2_29 F1_29 107.7(10) . . ?
F2_29 C2_29 F3_29 105.4(10) . . ?
F1_29 C2_29 F3_29 108.4(9) . . ?
F2_29 C2_29 C1_29 113.1(9) . . ?
F1_29 C2_29 C1_29 112.4(9) . . ?
F3_29 C2_29 C1_29 109.5(8) . . ?
F5_29 C3_29 F4_29 107.3(8) . . ?
F5_29 C3_29 F6_29 107.0(8) . . ?
F4_29 C3_29 F6_29 107.6(7) . . ?
F5_29 C3_29 C1_29 110.4(7) . . ?
F4_29 C3_29 C1_29 110.2(8) . . ?
F6_29 C3_29 C1_29 114.1(7) . . ?
F8_29 C4_29 F7_29 108.4(7) . . ?
F8_29 C4_29 F9_29 106.9(7) . . ?
F7_29 C4_29 F9_29 107.5(8) . . ?
F8_29 C4_29 C1_29 113.7(7) . . ?
F7_29 C4_29 C1_29 109.8(7) . . ?
F9_29 C4_29 C1_29 110.3(7) . . ?
C1_30 O1_30 Al2 155.5(18) . . ?
O1_30 C1_30 C3_30 109.8(13) . . ?
O1_30 C1_30 C2_30 109.7(13) . . ?
C3_30 C1_30 C2_30 109.8(11) . . ?
O1_30 C1_30 C4_30 110.7(12) . . ?
C3_30 C1_30 C4_30 107.4(10) . . ?
C2_30 C1_30 C4_30 109.4(10) . . ?
F2_30 C2_30 F3_30 107.7(13) . . ?
F2_30 C2_30 F1_30 108.5(14) . . ?
F3_30 C2_30 F1_30 110.2(14) . . ?
F2_30 C2_30 C1_30 111.7(12) . . ?
F3_30 C2_30 C1_30 111.1(13) . . ?
F1_30 C2_30 C1_30 107.6(12) . . ?
F6_30 C3_30 F4_30 110.3(15) . . ?
F6_30 C3_30 F5_30 106.8(14) . . ?
F4_30 C3_30 F5_30 105.6(14) . . ?
F6_30 C3_30 C1_30 113.8(13) . . ?
F4_30 C3_30 C1_30 109.9(12) . . ?
F5_30 C3_30 C1_30 110.0(13) . . ?
F9_30 C4_30 F7_30 107.1(14) . . ?
F9_30 C4_30 F8_30 109.1(14) . . ?
F7_30 C4_30 F8_30 109.4(14) . . ?
F9_30 C4_30 C1_30 110.7(12) . . ?
F7_30 C4_30 C1_30 111.5(12) . . ?
F8_30 C4_30 C1_30 109.1(12) . . ?
F7_23 F7_30 C4_30 144.2(16) . . ?
C1_31 O1_31 Al2 149.1(15) . . ?
O1_31 C1_31 C2_31 108.6(12) . . ?
O1_31 C1_31 C3_31 110.0(13) . . ?
C2_31 C1_31 C3_31 110.3(11) . . ?
O1_31 C1_31 C4_31 108.3(12) . . ?
C2_31 C1_31 C4_31 110.8(11) . . ?
C3_31 C1_31 C4_31 108.8(11) . . ?
F1_31 C2_31 F2_31 107.5(14) . . ?
F1_31 C2_31 F3_31 108.2(14) . . ?
F2_31 C2_31 F3_31 106.4(14) . . ?
F1_31 C2_31 C1_31 110.2(12) . . ?
F2_31 C2_31 C1_31 112.1(12) . . ?
F3_31 C2_31 C1_31 112.2(13) . . ?
F6_31 C3_31 F4_31 106.3(14) . . ?
F6_31 C3_31 F5_31 107.7(15) . . ?
F4_31 C3_31 F5_31 107.0(14) . . ?
F6_31 C3_31 C1_31 111.6(13) . . ?
F4_31 C3_31 C1_31 112.1(12) . . ?
F5_31 C3_31 C1_31 111.8(13) . . ?
F8_31 C4_31 F9_31 109.3(15) . . ?
F8_31 C4_31 F7_31 108.1(14) . . ?
F9_31 C4_31 F7_31 106.2(14) . . ?
F8_31 C4_31 C1_31 112.3(13) . . ?
F9_31 C4_31 C1_31 110.6(13) . . ?
F7_31 C4_31 C1_31 110.2(12) . . ?
C1_32 O1_32 Al1 148(3) . . ?
O1_32 C1_32 C2_32 108.8(18) . . ?
O1_32 C1_32 C4_32 108.5(18) . . ?
C2_32 C1_32 C4_32 111.0(12) . . ?
O1_32 C1_32 C3_32 110.0(18) . . ?
C2_32 C1_32 C3_32 108.0(12) . . ?
C4_32 C1_32 C3_32 110.5(11) . . ?
F3_32 C2_32 F1_32 104.4(15) . . ?
F3_32 C2_32 F2_32 111.0(18) . . ?
F1_32 C2_32 F2_32 105.7(18) . . ?
F3_32 C2_32 C1_32 112.5(14) . . ?
F1_32 C2_32 C1_32 112.2(14) . . ?
F2_32 C2_32 C1_32 110.7(16) . . ?
F4_32 C3_32 F5_32 108.3(15) . . ?
F4_32 C3_32 F6_32 106.3(16) . . ?
F5_32 C3_32 F6_32 104.6(16) . . ?
F4_32 C3_32 C1_32 110.1(14) . . ?
F5_32 C3_32 C1_32 111.5(13) . . ?
F6_32 C3_32 C1_32 115.5(16) . . ?
F8_32 C4_32 F9_32 110.2(17) . . ?
F8_32 C4_32 F7_32 98.4(14) . . ?
F9_32 C4_32 F7_32 109.0(17) . . ?
F8_32 C4_32 C1_32 114.3(13) . . ?
F9_32 C4_32 C1_32 115.1(16) . . ?
F7_32 C4_32 C1_32 108.5(13) . . ?
C1_33 O1_33 Al2 154(3) . . ?
O1_33 C1_33 C3_33 108.6(16) . . ?
O1_33 C1_33 C4_33 108.7(17) . . ?
C3_33 C1_33 C4_33 111.5(12) . . ?
O1_33 C1_33 C2_33 108.3(16) . . ?
C3_33 C1_33 C2_33 110.9(12) . . ?
C4_33 C1_33 C2_33 108.8(11) . . ?
F1_33 C2_33 F2_33 105.4(16) . . ?
F1_33 C2_33 F3_33 106.3(16) . . ?
F2_33 C2_33 F3_33 112.5(16) . . ?
F1_33 C2_33 C1_33 114.7(15) . . ?
F2_33 C2_33 C1_33 107.9(14) . . ?
F3_33 C2_33 C1_33 109.9(13) . . ?
F6_33 C3_33 F5_33 108.0(19) . . ?
F6_33 C3_33 F4_33 106.2(19) . . ?
F5_33 C3_33 F4_33 105.2(17) . . ?
F6_33 C3_33 C1_33 113.7(18) . . ?
F5_33 C3_33 C1_33 114.7(16) . . ?
F4_33 C3_33 C1_33 108.4(16) . . ?
F9_33 C4_33 F7_33 107.5(15) . . ?
F9_33 C4_33 F8_33 105.0(15) . . ?
F7_33 C4_33 F8_33 108.2(14) . . ?
F9_33 C4_33 C1_33 111.2(14) . . ?
F7_33 C4_33 C1_33 112.4(13) . . ?
F8_33 C4_33 C1_33 112.2(14) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N2 Ga1 N1 C10A -1.73(16) . . . . ?
Ga2 Ga1 N1 C10A 179.36(12) . . . . ?
N2 Ga1 N1 C1A 175.93(13) . . . . ?
Ga2 Ga1 N1 C1A -2.99(16) . . . . ?
N1 Ga1 N2 C12A 1.44(16) . . . . ?
Ga2 Ga1 N2 C12A -179.70(12) . . . . ?
N1 Ga1 N2 C15A -178.60(13) . . . . ?
Ga2 Ga1 N2 C15A 0.27(16) . . . . ?
N4 Ga2 N3 C33A -6.24(16) . . . . ?
Ga1 Ga2 N3 C33A 174.39(12) . . . . ?
N4 Ga2 N3 C24A 168.87(13) . . . . ?
Ga1 Ga2 N3 C24A -10.50(16) . . . . ?
N3 Ga2 N4 C35A 4.83(17) . . . . ?
Ga1 Ga2 N4 C35A -175.85(12) . . . . ?
N3 Ga2 N4 C38A -174.58(14) . . . . ?
Ga1 Ga2 N4 C38A 4.74(18) . . . . ?
N6 Ga3 N5 C56A 4.29(16) . . . . ?
Ga4 Ga3 N5 C56A -175.90(12) . . . . ?
N6 Ga3 N5 C47A -170.40(13) . . . . ?
Ga4 Ga3 N5 C47A 9.41(16) . . . . ?
N5 Ga3 N6 C58A -2.64(16) . . . . ?
Ga4 Ga3 N6 C58A 177.57(11) . . . . ?
N5 Ga3 N6 C61A 171.59(13) . . . . ?
Ga4 Ga3 N6 C61A -8.20(17) . . . . ?
N8 Ga4 N7 C79A -3.88(16) . . . . ?
Ga3 Ga4 N7 C79A 177.42(12) . . . . ?
N8 Ga4 N7 C70A 174.70(13) . . . . ?
Ga3 Ga4 N7 C70A -4.00(16) . . . . ?
N7 Ga4 N8 C81A 4.52(17) . . . . ?
Ga3 Ga4 N8 C81A -176.81(12) . . . . ?
N7 Ga4 N8 C84A -173.03(13) . . . . ?
Ga3 Ga4 N8 C84A 5.65(16) . . . . ?
C10A N1 C1A C6A -99.5(2) . . . . ?
Ga1 N1 C1A C6A 82.84(19) . . . . ?
C10A N1 C1A C2A 84.7(2) . . . . ?
Ga1 N1 C1A C2A -92.93(18) . . . . ?
C6A C1A C2A C3A 1.2(3) . . . . ?
N1 C1A C2A C3A 176.88(18) . . . . ?
C6A C1A C2A C7A -179.01(19) . . . . ?
N1 C1A C2A C7A -3.4(3) . . . . ?
C1A C2A C3A C4A -1.8(3) . . . . ?
C7A C2A C3A C4A 178.4(2) . . . . ?
C2A C3A C4A C5A 0.8(3) . . . . ?
C2A C3A C4A C8A 179.9(2) . . . . ?
C3A C4A C5A C6A 0.8(3) . . . . ?
C8A C4A C5A C6A -178.2(2) . . . . ?
C4A C5A C6A C1A -1.3(3) . . . . ?
C4A C5A C6A C9A 177.1(2) . . . . ?
C2A C1A C6A C5A 0.3(3) . . . . ?
N1 C1A C6A C5A -175.35(17) . . . . ?
C2A C1A C6A C9A -178.15(19) . . . . ?
N1 C1A C6A C9A 6.2(3) . . . . ?
C1A N1 C10A C11A -176.05(18) . . . . ?
Ga1 N1 C10A C11A 1.4(3) . . . . ?
C1A N1 C10A C13A 4.7(3) . . . . ?
Ga1 N1 C10A C13A -177.82(14) . . . . ?
N1 C10A C11A C12A -0.5(3) . . . . ?
C13A C10A C11A C12A 178.8(2) . . . . ?
C15A N2 C12A C11A 179.20(17) . . . . ?
Ga1 N2 C12A C11A -0.8(3) . . . . ?
C15A N2 C12A C14A -1.2(3) . . . . ?
Ga1 N2 C12A C14A 178.78(14) . . . . ?
C10A C11A C12A N2 0.1(3) . . . . ?
C10A C11A C12A C14A -179.5(2) . . . . ?
C12A N2 C15A C20A -90.1(2) . . . . ?
Ga1 N2 C15A C20A 89.90(18) . . . . ?
C12A N2 C15A C16A 94.7(2) . . . . ?
Ga1 N2 C15A C16A -85.26(18) . . . . ?
C20A C15A C16A C17A -1.3(3) . . . . ?
N2 C15A C16A C17A 173.68(16) . . . . ?
C20A C15A C16A C21A 178.91(18) . . . . ?
N2 C15A C16A C21A -6.1(3) . . . . ?
C15A C16A C17A C18A -0.7(3) . . . . ?
C21A C16A C17A C18A 179.02(18) . . . . ?
C16A C17A C18A C19A 2.0(3) . . . . ?
C16A C17A C18A C22A -177.88(18) . . . . ?
C17A C18A C19A C20A -1.4(3) . . . . ?
C22A C18A C19A C20A 178.56(18) . . . . ?
C18A C19A C20A C15A -0.6(3) . . . . ?
C18A C19A C20A C23A 179.11(19) . . . . ?
C16A C15A C20A C19A 2.0(3) . . . . ?
N2 C15A C20A C19A -172.99(16) . . . . ?
C16A C15A C20A C23A -177.72(18) . . . . ?
N2 C15A C20A C23A 7.3(3) . . . . ?
C33A N3 C24A C25A -97.0(2) . . . . ?
Ga2 N3 C24A C25A 87.80(19) . . . . ?
C33A N3 C24A C29A 83.5(2) . . . . ?
Ga2 N3 C24A C29A -91.67(18) . . . . ?
C29A C24A C25A C26A 0.4(3) . . . . ?
N3 C24A C25A C26A -179.05(16) . . . . ?
C29A C24A C25A C30A -176.07(18) . . . . ?
N3 C24A C25A C30A 4.5(3) . . . . ?
C24A C25A C26A C27A -1.6(3) . . . . ?
C30A C25A C26A C27A 174.83(19) . . . . ?
C25A C26A C27A C28A 1.5(3) . . . . ?
C25A C26A C27A C31A -177.80(19) . . . . ?
C26A C27A C28A C29A -0.1(3) . . . . ?
C31A C27A C28A C29A 179.20(19) . . . . ?
C27A C28A C29A C24A -1.0(3) . . . . ?
C27A C28A C29A C32A -179.63(19) . . . . ?
C25A C24A C29A C28A 0.9(3) . . . . ?
N3 C24A C29A C28A -179.63(16) . . . . ?
C25A C24A C29A C32A 179.50(18) . . . . ?
N3 C24A C29A C32A -1.1(3) . . . . ?
C24A N3 C33A C34A -171.02(17) . . . . ?
Ga2 N3 C33A C34A 4.0(3) . . . . ?
C24A N3 C33A C36A 8.9(3) . . . . ?
Ga2 N3 C33A C36A -176.12(13) . . . . ?
N3 C33A C34A C35A 1.3(3) . . . . ?
C36A C33A C34A C35A -178.5(2) . . . . ?
C38A N4 C35A C34A 178.26(19) . . . . ?
Ga2 N4 C35A C34A -1.1(3) . . . . ?
C38A N4 C35A C37A -1.8(3) . . . . ?
Ga2 N4 C35A C37A 178.77(15) . . . . ?
C33A C34A C35A N4 -3.0(3) . . . . ?
C33A C34A C35A C37A 177.1(2) . . . . ?
C35A N4 C38A C43A -89.3(2) . . . . ?
Ga2 N4 C38A C43A 90.1(2) . . . . ?
C35A N4 C38A C39A 92.4(2) . . . . ?
Ga2 N4 C38A C39A -88.2(2) . . . . ?
C43A C38A C39A C40A -1.5(3) . . . . ?
N4 C38A C39A C40A 176.76(18) . . . . ?
C43A C38A C39A C44A 177.63(19) . . . . ?
N4 C38A C39A C44A -4.1(3) . . . . ?
C38A C39A C40A C41A 0.4(3) . . . . ?
C44A C39A C40A C41A -178.7(2) . . . . ?
C39A C40A C41A C42A 0.7(3) . . . . ?
C39A C40A C41A C45A -179.2(2) . . . . ?
C40A C41A C42A C43A -0.7(4) . . . . ?
C45A C41A C42A C43A 179.2(2) . . . . ?
C39A C38A C43A C42A 1.5(3) . . . . ?
N4 C38A C43A C42A -176.78(18) . . . . ?
C39A C38A C43A C46A -178.5(2) . . . . ?
N4 C38A C43A C46A 3.3(3) . . . . ?
C41A C42A C43A C38A -0.3(3) . . . . ?
C41A C42A C43A C46A 179.6(2) . . . . ?
C56A N5 C47A C48A -86.4(2) . . . . ?
Ga3 N5 C47A C48A 88.37(19) . . . . ?
C56A N5 C47A C52A 95.1(2) . . . . ?
Ga3 N5 C47A C52A -90.15(19) . . . . ?
C52A C47A C48A C49A -1.1(3) . . . . ?
N5 C47A C48A C49A -179.59(17) . . . . ?
C52A C47A C48A C53A 179.47(19) . . . . ?
N5 C47A C48A C53A 1.0(3) . . . . ?
C47A C48A C49A C50A 0.8(3) . . . . ?
C53A C48A C49A C50A -179.7(2) . . . . ?
C48A C49A C50A C51A 0.1(3) . . . . ?
C48A C49A C50A C54A 179.8(2) . . . . ?
C49A C50A C51A C52A -0.7(3) . . . . ?
C54A C50A C51A C52A 179.5(2) . . . . ?
C50A C51A C52A C47A 0.5(3) . . . . ?
C50A C51A C52A C55A -177.3(2) . . . . ?
C48A C47A C52A C51A 0.5(3) . . . . ?
N5 C47A C52A C51A 178.92(17) . . . . ?
C48A C47A C52A C55A 178.24(19) . . . . ?
N5 C47A C52A C55A -3.3(3) . . . . ?
C47A N5 C56A C57A 172.21(17) . . . . ?
Ga3 N5 C56A C57A -2.3(3) . . . . ?
C47A N5 C56A C59A -7.3(3) . . . . ?
Ga3 N5 C56A C59A 178.21(14) . . . . ?
N5 C56A C57A C58A -2.6(3) . . . . ?
C59A C56A C57A C58A 176.83(19) . . . . ?
C61A N6 C58A C57A -175.20(17) . . . . ?
Ga3 N6 C58A C57A -1.0(3) . . . . ?
C61A N6 C58A C60A 3.8(3) . . . . ?
Ga3 N6 C58A C60A 177.94(14) . . . . ?
C56A C57A C58A N6 4.5(3) . . . . ?
C56A C57A C58A C60A -174.44(19) . . . . ?
C58A N6 C61A C62A 90.0(2) . . . . ?
Ga3 N6 C61A C62A -84.28(19) . . . . ?
C58A N6 C61A C66A -90.3(2) . . . . ?
Ga3 N6 C61A C66A 95.38(18) . . . . ?
C66A C61A C62A C63A 0.1(3) . . . . ?
N6 C61A C62A C63A 179.72(16) . . . . ?
C66A C61A C62A C67A 178.83(18) . . . . ?
N6 C61A C62A C67A -1.5(3) . . . . ?
C61A C62A C63A C64A 0.2(3) . . . . ?
C67A C62A C63A C64A -178.56(19) . . . . ?
C62A C63A C64A C65A -0.5(3) . . . . ?
C62A C63A C64A C68A 177.55(19) . . . . ?
C63A C64A C65A C66A 0.5(3) . . . . ?
C68A C64A C65A C66A -177.52(19) . . . . ?
C64A C65A C66A C61A -0.2(3) . . . . ?
C64A C65A C66A C69A 178.40(19) . . . . ?
C62A C61A C66A C65A -0.1(3) . . . . ?
N6 C61A C66A C65A -179.70(16) . . . . ?
C62A C61A C66A C69A -178.69(18) . . . . ?
N6 C61A C66A C69A 1.7(3) . . . . ?
C79A N7 C70A C75A 87.0(2) . . . . ?
Ga4 N7 C70A C75A -91.59(19) . . . . ?
C79A N7 C70A C71A -95.8(2) . . . . ?
Ga4 N7 C70A C71A 85.62(19) . . . . ?
C75A C70A C71A C72A 1.7(3) . . . . ?
N7 C70A C71A C72A -175.42(16) . . . . ?
C75A C70A C71A C76A -177.71(19) . . . . ?
N7 C70A C71A C76A 5.2(3) . . . . ?
C70A C71A C72A C73A -1.1(3) . . . . ?
C76A C71A C72A C73A 178.34(19) . . . . ?
C71A C72A C73A C74A -0.4(3) . . . . ?
C71A C72A C73A C77A -179.96(19) . . . . ?
C72A C73A C74A C75A 1.3(3) . . . . ?
C77A C73A C74A C75A -179.1(2) . . . . ?
C73A C74A C75A C70A -0.7(3) . . . . ?
C73A C74A C75A C78A 179.6(2) . . . . ?
C71A C70A C75A C74A -0.8(3) . . . . ?
N7 C70A C75A C74A 176.26(17) . . . . ?
C71A C70A C75A C78A 178.88(19) . . . . ?
N7 C70A C75A C78A -4.0(3) . . . . ?
C70A N7 C79A C80A -177.11(18) . . . . ?
Ga4 N7 C79A C80A 1.4(3) . . . . ?
C70A N7 C79A C82A 3.0(3) . . . . ?
Ga4 N7 C79A C82A -178.44(15) . . . . ?
N7 C79A C80A C81A 1.7(3) . . . . ?
C82A C79A C80A C81A -178.4(2) . . . . ?
C84A N8 C81A C80A 174.69(18) . . . . ?
Ga4 N8 C81A C80A -2.7(3) . . . . ?
C84A N8 C81A C83A -5.2(3) . . . . ?
Ga4 N8 C81A C83A 177.35(15) . . . . ?
C79A C80A C81A N8 -1.0(3) . . . . ?
C79A C80A C81A C83A 178.9(2) . . . . ?
C81A N8 C84A C89A 99.3(2) . . . . ?
Ga4 N8 C84A C89A -83.18(19) . . . . ?
C81A N8 C84A C85A -83.0(2) . . . . ?
Ga4 N8 C84A C85A 94.54(18) . . . . ?
C89A C84A C85A C86A -1.2(3) . . . . ?
N8 C84A C85A C86A -178.90(17) . . . . ?
C89A C84A C85A C90A -179.75(19) . . . . ?
N8 C84A C85A C90A 2.6(3) . . . . ?
C84A C85A C86A C87A 1.6(3) . . . . ?
C90A C85A C86A C87A -179.8(2) . . . . ?
C85A C86A C87A C88A -0.5(3) . . . . ?
C85A C86A C87A C91A -180.0(2) . . . . ?
C86A C87A C88A C89A -1.1(3) . . . . ?
C91A C87A C88A C89A 178.3(2) . . . . ?
C87A C88A C89A C84A 1.5(3) . . . . ?
C87A C88A C89A C92A -175.6(2) . . . . ?
C85A C84A C89A C88A -0.3(3) . . . . ?
N8 C84A C89A C88A 177.35(17) . . . . ?
C85A C84A C89A C92A 176.88(19) . . . . ?
N8 C84A C89A C92A -5.5(3) . . . . ?
O1_3 Al1 O1_1 C1_1 32.6(5) . . . . ?
O1_4 Al1 O1_1 C1_1 154.1(5) . . . . ?
O1_2 Al1 O1_1 C1_1 -87.6(5) . . . . ?
Al1 O1_1 C1_1 C3_1 -58.2(5) . . . . ?
Al1 O1_1 C1_1 C4_1 63.5(5) . . . . ?
Al1 O1_1 C1_1 C2_1 -176.6(4) . . . . ?
O1_1 C1_1 C2_1 F1_1 -44.9(4) . . . . ?
C3_1 C1_1 C2_1 F1_1 -165.2(3) . . . . ?
C4_1 C1_1 C2_1 F1_1 75.8(3) . . . . ?
O1_1 C1_1 C2_1 F3_1 75.7(3) . . . . ?
C3_1 C1_1 C2_1 F3_1 -44.6(3) . . . . ?
C4_1 C1_1 C2_1 F3_1 -163.6(2) . . . . ?
O1_1 C1_1 C2_1 F2_1 -165.9(3) . . . . ?
C3_1 C1_1 C2_1 F2_1 73.7(3) . . . . ?
C4_1 C1_1 C2_1 F2_1 -45.3(4) . . . . ?
O1_1 C1_1 C3_1 F5_1 -41.8(3) . . . . ?
C4_1 C1_1 C3_1 F5_1 -164.3(2) . . . . ?
C2_1 C1_1 C3_1 F5_1 76.5(3) . . . . ?
O1_1 C1_1 C3_1 F4_1 76.9(3) . . . . ?
C4_1 C1_1 C3_1 F4_1 -45.6(3) . . . . ?
C2_1 C1_1 C3_1 F4_1 -164.8(2) . . . . ?
O1_1 C1_1 C3_1 F6_1 -163.9(3) . . . . ?
C4_1 C1_1 C3_1 F6_1 73.6(3) . . . . ?
C2_1 C1_1 C3_1 F6_1 -45.6(3) . . . . ?
O1_1 C1_1 C4_1 F7_1 -43.5(3) . . . . ?
C3_1 C1_1 C4_1 F7_1 79.3(3) . . . . ?
C2_1 C1_1 C4_1 F7_1 -162.5(2) . . . . ?
O1_1 C1_1 C4_1 F9_1 76.2(3) . . . . ?
C3_1 C1_1 C4_1 F9_1 -161.0(2) . . . . ?
C2_1 C1_1 C4_1 F9_1 -42.7(3) . . . . ?
O1_1 C1_1 C4_1 F8_1 -164.2(3) . . . . ?
C3_1 C1_1 C4_1 F8_1 -41.4(3) . . . . ?
C2_1 C1_1 C4_1 F8_1 76.8(3) . . . . ?
O1_3 Al1 O1_2 C1_2 164.3(2) . . . . ?
O1_4 Al1 O1_2 C1_2 41.9(4) . . . . ?
O1_1 Al1 O1_2 C1_2 -75.7(3) . . . . ?
Al1 O1_2 C1_2 C4_2 63.9(3) . . . . ?
Al1 O1_2 C1_2 C3_2 -58.1(3) . . . . ?
Al1 O1_2 C1_2 C2_2 -175.5(2) . . . . ?
O1_2 C1_2 C2_2 F1_2 -43.4(3) . . . . ?
C4_2 C1_2 C2_2 F1_2 78.1(3) . . . . ?
C3_2 C1_2 C2_2 F1_2 -163.6(2) . . . . ?
O1_2 C1_2 C2_2 F2_2 -163.1(2) . . . . ?
C4_2 C1_2 C2_2 F2_2 -41.7(3) . . . . ?
C3_2 C1_2 C2_2 F2_2 76.6(3) . . . . ?
O1_2 C1_2 C2_2 F3_2 76.5(2) . . . . ?
C4_2 C1_2 C2_2 F3_2 -162.1(2) . . . . ?
C3_2 C1_2 C2_2 F3_2 -43.7(2) . . . . ?
O1_2 C1_2 C3_2 F5_2 -39.6(3) . . . . ?
C4_2 C1_2 C3_2 F5_2 -162.7(2) . . . . ?
C2_2 C1_2 C3_2 F5_2 78.4(2) . . . . ?
O1_2 C1_2 C3_2 F4_2 79.1(2) . . . . ?
C4_2 C1_2 C3_2 F4_2 -44.0(3) . . . . ?
C2_2 C1_2 C3_2 F4_2 -162.84(19) . . . . ?
O1_2 C1_2 C3_2 F6_2 -161.2(2) . . . . ?
C4_2 C1_2 C3_2 F6_2 75.7(3) . . . . ?
C2_2 C1_2 C3_2 F6_2 -43.1(3) . . . . ?
O1_2 C1_2 C4_2 F7_2 -44.0(3) . . . . ?
C3_2 C1_2 C4_2 F7_2 79.3(3) . . . . ?
C2_2 C1_2 C4_2 F7_2 -163.6(2) . . . . ?
O1_2 C1_2 C4_2 F8_2 -164.0(2) . . . . ?
C3_2 C1_2 C4_2 F8_2 -40.7(3) . . . . ?
C2_2 C1_2 C4_2 F8_2 76.4(3) . . . . ?
O1_2 C1_2 C4_2 F9_2 75.3(3) . . . . ?
C3_2 C1_2 C4_2 F9_2 -161.4(2) . . . . ?
C2_2 C1_2 C4_2 F9_2 -44.3(3) . . . . ?
O1_4 Al1 O1_3 C1_3 85.0(3) . . . . ?
O1_2 Al1 O1_3 C1_3 -34.5(2) . . . . ?
O1_1 Al1 O1_3 C1_3 -157.4(2) . . . . ?
Al1 O1_3 C1_3 C4_3 -65.4(3) . . . . ?
Al1 O1_3 C1_3 C3_3 174.97(18) . . . . ?
Al1 O1_3 C1_3 C2_3 55.8(3) . . . . ?
O1_3 C1_3 C2_3 F3_3 38.8(2) . . . . ?
C4_3 C1_3 C2_3 F3_3 161.10(18) . . . . ?
C3_3 C1_3 C2_3 F3_3 -80.0(2) . . . . ?
O1_3 C1_3 C2_3 F2_3 159.59(19) . . . . ?
C4_3 C1_3 C2_3 F2_3 -78.1(2) . . . . ?
C3_3 C1_3 C2_3 F2_3 40.8(3) . . . . ?
O1_3 C1_3 C2_3 F1_3 -80.0(2) . . . . ?
C4_3 C1_3 C2_3 F1_3 42.4(2) . . . . ?
C3_3 C1_3 C2_3 F1_3 161.28(17) . . . . ?
O1_3 C1_3 C3_3 F5_3 -77.0(2) . . . . ?
C4_3 C1_3 C3_3 F5_3 162.35(18) . . . . ?
C2_3 C1_3 C3_3 F5_3 43.6(2) . . . . ?
O1_3 C1_3 C3_3 F4_3 41.6(2) . . . . ?
C4_3 C1_3 C3_3 F4_3 -79.0(2) . . . . ?
C2_3 C1_3 C3_3 F4_3 162.25(17) . . . . ?
O1_3 C1_3 C3_3 F6_3 162.71(18) . . . . ?
C4_3 C1_3 C3_3 F6_3 42.1(3) . . . . ?
C2_3 C1_3 C3_3 F6_3 -76.7(2) . . . . ?
O1_3 C1_3 C4_3 F9_3 44.0(2) . . . . ?
C3_3 C1_3 C4_3 F9_3 162.88(19) . . . . ?
C2_3 C1_3 C4_3 F9_3 -78.5(2) . . . . ?
O1_3 C1_3 C4_3 F7_3 -74.7(2) . . . . ?
C3_3 C1_3 C4_3 F7_3 44.2(2) . . . . ?
C2_3 C1_3 C4_3 F7_3 162.82(19) . . . . ?
O1_3 C1_3 C4_3 F8_3 164.88(17) . . . . ?
C3_3 C1_3 C4_3 F8_3 -76.2(2) . . . . ?
C2_3 C1_3 C4_3 F8_3 42.4(2) . . . . ?
O1_3 Al1 O1_4 C1_4 75.7(9) . . . . ?
O1_2 Al1 O1_4 C1_4 -164.5(8) . . . . ?
O1_1 Al1 O1_4 C1_4 -42.9(9) . . . . ?
Al1 O1_4 C1_4 C4_4 46.7(10) . . . . ?
Al1 O1_4 C1_4 C3_4 -74.5(9) . . . . ?
Al1 O1_4 C1_4 C2_4 166.6(7) . . . . ?
O1_4 C1_4 C2_4 F3_4 44.3(5) . . . . ?
C4_4 C1_4 C2_4 F3_4 166.2(3) . . . . ?
C3_4 C1_4 C2_4 F3_4 -75.5(4) . . . . ?
O1_4 C1_4 C2_4 F1_4 -75.4(4) . . . . ?
C4_4 C1_4 C2_4 F1_4 46.6(4) . . . . ?
C3_4 C1_4 C2_4 F1_4 164.8(3) . . . . ?
O1_4 C1_4 C2_4 F2_4 164.1(5) . . . . ?
C4_4 C1_4 C2_4 F2_4 -74.0(4) . . . . ?
C3_4 C1_4 C2_4 F2_4 44.3(4) . . . . ?
O1_4 C1_4 C3_4 F4_4 49.9(4) . . . . ?
C4_4 C1_4 C3_4 F4_4 -73.6(3) . . . . ?
C2_4 C1_4 C3_4 F4_4 167.9(3) . . . . ?
O1_4 C1_4 C3_4 F6_4 171.3(4) . . . . ?
C4_4 C1_4 C3_4 F6_4 47.8(3) . . . . ?
C2_4 C1_4 C3_4 F6_4 -70.8(3) . . . . ?
O1_4 C1_4 C3_4 F5_4 -69.1(4) . . . . ?
C4_4 C1_4 C3_4 F5_4 167.4(2) . . . . ?
C2_4 C1_4 C3_4 F5_4 48.9(3) . . . . ?
O1_4 C1_4 C4_4 F9_4 42.2(4) . . . . ?
C3_4 C1_4 C4_4 F9_4 164.6(2) . . . . ?
C2_4 C1_4 C4_4 F9_4 -76.8(3) . . . . ?
O1_4 C1_4 C4_4 F7_4 -77.2(4) . . . . ?
C3_4 C1_4 C4_4 F7_4 45.2(3) . . . . ?
C2_4 C1_4 C4_4 F7_4 163.8(2) . . . . ?
O1_4 C1_4 C4_4 F8_4 162.9(4) . . . . ?
C3_4 C1_4 C4_4 F8_4 -74.7(3) . . . . ?
C2_4 C1_4 C4_4 F8_4 43.9(3) . . . . ?
O1_7 Al2 O1_5 C1_5 -80.1(14) . . . . ?
O1_6 Al2 O1_5 C1_5 161.0(12) . . . . ?
O1_8 Al2 O1_5 C1_5 38.0(14) . . . . ?
Al2 O1_5 C1_5 C4_5 -164.6(11) . . . . ?
Al2 O1_5 C1_5 C2_5 -41.7(15) . . . . ?
Al2 O1_5 C1_5 C3_5 76.3(14) . . . . ?
O1_5 C1_5 C2_5 F3_5 73.3(6) . . . . ?
C4_5 C1_5 C2_5 F3_5 -163.5(4) . . . . ?
C3_5 C1_5 C2_5 F3_5 -44.4(5) . . . . ?
O1_5 C1_5 C2_5 F1_5 -46.9(6) . . . . ?
C4_5 C1_5 C2_5 F1_5 76.4(5) . . . . ?
C3_5 C1_5 C2_5 F1_5 -164.6(4) . . . . ?
O1_5 C1_5 C2_5 F2_5 -167.9(5) . . . . ?
C4_5 C1_5 C2_5 F2_5 -44.7(5) . . . . ?
C3_5 C1_5 C2_5 F2_5 74.4(5) . . . . ?
O1_5 C1_5 C3_5 F6_5 -162.8(6) . . . . ?
C4_5 C1_5 C3_5 F6_5 77.5(5) . . . . ?
C2_5 C1_5 C3_5 F6_5 -41.8(5) . . . . ?
O1_5 C1_5 C3_5 F4_5 76.2(6) . . . . ?
C4_5 C1_5 C3_5 F4_5 -43.5(5) . . . . ?
C2_5 C1_5 C3_5 F4_5 -162.8(3) . . . . ?
O1_5 C1_5 C3_5 F5_5 -42.6(7) . . . . ?
C4_5 C1_5 C3_5 F5_5 -162.3(5) . . . . ?
C2_5 C1_5 C3_5 F5_5 78.4(5) . . . . ?
O1_5 C1_5 C4_5 F9_5 77.1(6) . . . . ?
C2_5 C1_5 C4_5 F9_5 -47.2(5) . . . . ?
C3_5 C1_5 C4_5 F9_5 -165.2(3) . . . . ?
O1_5 C1_5 C4_5 F8_5 -161.1(6) . . . . ?
C2_5 C1_5 C4_5 F8_5 74.5(5) . . . . ?
C3_5 C1_5 C4_5 F8_5 -43.4(5) . . . . ?
O1_5 C1_5 C4_5 F7_5 -42.6(6) . . . . ?
C2_5 C1_5 C4_5 F7_5 -166.9(4) . . . . ?
C3_5 C1_5 C4_5 F7_5 75.1(5) . . . . ?
O1_5 Al2 O1_6 C1_6 -43.0(5) . . . . ?
O1_7 Al2 O1_6 C1_6 -165.0(4) . . . . ?
O1_8 Al2 O1_6 C1_6 76.4(4) . . . . ?
Al2 O1_6 C1_6 C3_6 69.9(4) . . . . ?
Al2 O1_6 C1_6 C2_6 -51.4(4) . . . . ?
Al2 O1_6 C1_6 C4_6 -170.8(3) . . . . ?
O1_6 C1_6 C2_6 F3_6 41.3(3) . . . . ?
C3_6 C1_6 C2_6 F3_6 -81.2(3) . . . . ?
C4_6 C1_6 C2_6 F3_6 160.4(2) . . . . ?
O1_6 C1_6 C2_6 F2_6 163.5(2) . . . . ?
C3_6 C1_6 C2_6 F2_6 41.0(3) . . . . ?
C4_6 C1_6 C2_6 F2_6 -77.5(3) . . . . ?
O1_6 C1_6 C2_6 F1_6 -76.8(3) . . . . ?
C3_6 C1_6 C2_6 F1_6 160.7(2) . . . . ?
C4_6 C1_6 C2_6 F1_6 42.3(3) . . . . ?
O1_6 C1_6 C3_6 F4_6 38.7(3) . . . . ?
C2_6 C1_6 C3_6 F4_6 161.5(2) . . . . ?
C4_6 C1_6 C3_6 F4_6 -80.2(3) . . . . ?
O1_6 C1_6 C3_6 F6_6 161.5(2) . . . . ?
C2_6 C1_6 C3_6 F6_6 -75.7(3) . . . . ?
C4_6 C1_6 C3_6 F6_6 42.6(3) . . . . ?
O1_6 C1_6 C3_6 F5_6 -79.1(3) . . . . ?
C2_6 C1_6 C3_6 F5_6 43.7(3) . . . . ?
C4_6 C1_6 C3_6 F5_6 162.0(2) . . . . ?
O1_6 C1_6 C4_6 F9_6 41.7(3) . . . . ?
C3_6 C1_6 C4_6 F9_6 162.3(3) . . . . ?
C2_6 C1_6 C4_6 F9_6 -79.4(3) . . . . ?
O1_6 C1_6 C4_6 F8_6 163.2(3) . . . . ?
C3_6 C1_6 C4_6 F8_6 -76.2(3) . . . . ?
C2_6 C1_6 C4_6 F8_6 42.2(3) . . . . ?
O1_6 C1_6 C4_6 F7_6 -76.8(3) . . . . ?
C3_6 C1_6 C4_6 F7_6 43.8(3) . . . . ?
C2_6 C1_6 C4_6 F7_6 162.1(2) . . . . ?
O1_5 Al2 O1_7 C1_7 -81.6(10) . . . . ?
O1_6 Al2 O1_7 C1_7 39.0(10) . . . . ?
O1_8 Al2 O1_7 C1_7 160.9(9) . . . . ?
Al2 O1_7 C1_7 C4_7 -68.0(10) . . . . ?
Al2 O1_7 C1_7 C2_7 52.8(10) . . . . ?
Al2 O1_7 C1_7 C3_7 172.5(8) . . . . ?
O1_7 C1_7 C2_7 F1_7 -40.4(5) . . . . ?
C4_7 C1_7 C2_7 F1_7 82.0(4) . . . . ?
C3_7 C1_7 C2_7 F1_7 -159.3(3) . . . . ?
O1_7 C1_7 C2_7 F3_7 78.4(5) . . . . ?
C4_7 C1_7 C2_7 F3_7 -159.2(3) . . . . ?
C3_7 C1_7 C2_7 F3_7 -40.6(4) . . . . ?
O1_7 C1_7 C2_7 F2_7 -160.9(4) . . . . ?
C4_7 C1_7 C2_7 F2_7 -38.5(4) . . . . ?
C3_7 C1_7 C2_7 F2_7 80.2(3) . . . . ?
O1_7 C1_7 C3_7 F5_7 -44.0(6) . . . . ?
C4_7 C1_7 C3_7 F5_7 -164.7(4) . . . . ?
C2_7 C1_7 C3_7 F5_7 77.1(5) . . . . ?
O1_7 C1_7 C3_7 F4_7 74.7(5) . . . . ?
C4_7 C1_7 C3_7 F4_7 -46.0(4) . . . . ?
C2_7 C1_7 C3_7 F4_7 -164.2(3) . . . . ?
O1_7 C1_7 C3_7 F6_7 -164.8(4) . . . . ?
C4_7 C1_7 C3_7 F6_7 74.5(4) . . . . ?
C2_7 C1_7 C3_7 F6_7 -43.8(4) . . . . ?
O1_7 C1_7 C4_7 F7_7 -38.7(5) . . . . ?
C2_7 C1_7 C4_7 F7_7 -161.3(4) . . . . ?
C3_7 C1_7 C4_7 F7_7 80.1(4) . . . . ?
O1_7 C1_7 C4_7 F9_7 80.8(5) . . . . ?
C2_7 C1_7 C4_7 F9_7 -41.8(4) . . . . ?
C3_7 C1_7 C4_7 F9_7 -160.4(3) . . . . ?
O1_7 C1_7 C4_7 F8_7 -159.2(4) . . . . ?
C2_7 C1_7 C4_7 F8_7 78.3(4) . . . . ?
C3_7 C1_7 C4_7 F8_7 -40.4(4) . . . . ?
O1_5 Al2 O1_8 C1_8 -159.7(7) . . . . ?
O1_7 Al2 O1_8 C1_8 -38.9(8) . . . . ?
O1_6 Al2 O1_8 C1_8 79.2(7) . . . . ?
Al2 O1_8 C1_8 C3_8 173.3(6) . . . . ?
Al2 O1_8 C1_8 C2_8 51.5(8) . . . . ?
Al2 O1_8 C1_8 C4_8 -69.4(7) . . . . ?
O1_8 C1_8 C2_8 F3_8 42.2(4) . . . . ?
C3_8 C1_8 C2_8 F3_8 -78.1(4) . . . . ?
C4_8 C1_8 C2_8 F3_8 164.0(3) . . . . ?
O1_8 C1_8 C2_8 F1_8 -77.5(4) . . . . ?
C3_8 C1_8 C2_8 F1_8 162.2(3) . . . . ?
C4_8 C1_8 C2_8 F1_8 44.3(3) . . . . ?
O1_8 C1_8 C2_8 F2_8 162.4(4) . . . . ?
C3_8 C1_8 C2_8 F2_8 42.2(4) . . . . ?
C4_8 C1_8 C2_8 F2_8 -75.8(4) . . . . ?
O1_8 C1_8 C3_8 F4_8 42.4(4) . . . . ?
C2_8 C1_8 C3_8 F4_8 164.6(3) . . . . ?
C4_8 C1_8 C3_8 F4_8 -76.7(3) . . . . ?
O1_8 C1_8 C3_8 F5_8 -77.7(4) . . . . ?
C2_8 C1_8 C3_8 F5_8 44.5(3) . . . . ?
C4_8 C1_8 C3_8 F5_8 163.1(3) . . . . ?
O1_8 C1_8 C3_8 F6_8 164.1(4) . . . . ?
C2_8 C1_8 C3_8 F6_8 -73.8(4) . . . . ?
C4_8 C1_8 C3_8 F6_8 44.9(4) . . . . ?
O1_8 C1_8 C4_8 F7_8 -76.0(3) . . . . ?
C3_8 C1_8 C4_8 F7_8 41.7(3) . . . . ?
C2_8 C1_8 C4_8 F7_8 161.6(2) . . . . ?
O1_8 C1_8 C4_8 F9_8 43.1(4) . . . . ?
C3_8 C1_8 C4_8 F9_8 160.8(3) . . . . ?
C2_8 C1_8 C4_8 F9_8 -79.3(4) . . . . ?
O1_8 C1_8 C4_8 F8_8 163.0(3) . . . . ?
C3_8 C1_8 C4_8 F8_8 -79.3(3) . . . . ?
C2_8 C1_8 C4_8 F8_8 40.7(3) . . . . ?
O1_11 Al3 O1_9 C1_9 -92.4(3) . . . . ?
O1_10 Al3 O1_9 C1_9 147.2(2) . . . . ?
O1_12 Al3 O1_9 C1_9 25.4(3) . . . . ?
Al3 O1_9 C1_9 C2_9 56.9(3) . . . . ?
Al3 O1_9 C1_9 C3_9 176.4(2) . . . . ?
Al3 O1_9 C1_9 C4_9 -64.9(3) . . . . ?
O1_9 C1_9 C2_9 F1_9 -41.6(3) . . . . ?
C3_9 C1_9 C2_9 F1_9 -161.0(2) . . . . ?
C4_9 C1_9 C2_9 F1_9 80.8(3) . . . . ?
O1_9 C1_9 C2_9 F2_9 -164.32(19) . . . . ?
C3_9 C1_9 C2_9 F2_9 76.3(3) . . . . ?
C4_9 C1_9 C2_9 F2_9 -41.9(3) . . . . ?
O1_9 C1_9 C2_9 F3_9 76.0(2) . . . . ?
C3_9 C1_9 C2_9 F3_9 -43.4(2) . . . . ?
C4_9 C1_9 C2_9 F3_9 -161.52(18) . . . . ?
O1_9 C1_9 C3_9 F5_9 -42.4(3) . . . . ?
C2_9 C1_9 C3_9 F5_9 78.5(2) . . . . ?
C4_9 C1_9 C3_9 F5_9 -162.45(19) . . . . ?
O1_9 C1_9 C3_9 F4_9 76.6(2) . . . . ?
C2_9 C1_9 C3_9 F4_9 -162.4(2) . . . . ?
C4_9 C1_9 C3_9 F4_9 -43.4(2) . . . . ?
O1_9 C1_9 C3_9 F6_9 -164.83(19) . . . . ?
C2_9 C1_9 C3_9 F6_9 -43.9(3) . . . . ?
C4_9 C1_9 C3_9 F6_9 75.1(2) . . . . ?
O1_9 C1_9 C4_9 F7_9 -41.7(3) . . . . ?
C2_9 C1_9 C4_9 F7_9 -164.4(2) . . . . ?
C3_9 C1_9 C4_9 F7_9 77.2(2) . . . . ?
O1_9 C1_9 C4_9 F8_9 -164.79(19) . . . . ?
C2_9 C1_9 C4_9 F8_9 72.5(2) . . . . ?
C3_9 C1_9 C4_9 F8_9 -45.9(3) . . . . ?
O1_9 C1_9 C4_9 F9_9 77.2(2) . . . . ?
C2_9 C1_9 C4_9 F9_9 -45.5(2) . . . . ?
C3_9 C1_9 C4_9 F9_9 -163.96(18) . . . . ?
O1_11 Al3 O1_10 C1_10 -163.5(3) . . . . ?
O1_9 Al3 O1_10 C1_10 -39.6(3) . . . . ?
O1_12 Al3 O1_10 C1_10 79.8(3) . . . . ?
Al3 O1_10 C1_10 C4_10 -60.7(3) . . . . ?
Al3 O1_10 C1_10 C2_10 60.9(3) . . . . ?
Al3 O1_10 C1_10 C3_10 179.8(2) . . . . ?
O1_10 C1_10 C2_10 F3_10 40.3(2) . . . . ?
C4_10 C1_10 C2_10 F3_10 163.04(18) . . . . ?
C3_10 C1_10 C2_10 F3_10 -78.1(2) . . . . ?
O1_10 C1_10 C2_10 F1_10 -78.5(2) . . . . ?
C4_10 C1_10 C2_10 F1_10 44.3(2) . . . . ?
C3_10 C1_10 C2_10 F1_10 163.14(18) . . . . ?
O1_10 C1_10 C2_10 F2_10 161.07(19) . . . . ?
C4_10 C1_10 C2_10 F2_10 -76.2(2) . . . . ?
C3_10 C1_10 C2_10 F2_10 42.7(3) . . . . ?
O1_10 C1_10 C3_10 F4_10 43.7(2) . . . . ?
C4_10 C1_10 C3_10 F4_10 -77.0(2) . . . . ?
C2_10 C1_10 C3_10 F4_10 164.20(18) . . . . ?
O1_10 C1_10 C3_10 F5_10 -76.4(2) . . . . ?
C4_10 C1_10 C3_10 F5_10 162.91(18) . . . . ?
C2_10 C1_10 C3_10 F5_10 44.1(2) . . . . ?
O1_10 C1_10 C3_10 F6_10 164.05(19) . . . . ?
C4_10 C1_10 C3_10 F6_10 43.4(3) . . . . ?
C2_10 C1_10 C3_10 F6_10 -75.5(2) . . . . ?
O1_10 C1_10 C4_10 F7_10 -75.7(2) . . . . ?
C2_10 C1_10 C4_10 F7_10 161.53(18) . . . . ?
C3_10 C1_10 C4_10 F7_10 43.0(2) . . . . ?
O1_10 C1_10 C4_10 F9_10 44.0(3) . . . . ?
C2_10 C1_10 C4_10 F9_10 -78.9(2) . . . . ?
C3_10 C1_10 C4_10 F9_10 162.63(19) . . . . ?
O1_10 C1_10 C4_10 F8_10 163.91(18) . . . . ?
C2_10 C1_10 C4_10 F8_10 41.1(2) . . . . ?
C3_10 C1_10 C4_10 F8_10 -77.4(2) . . . . ?
O1_10 Al3 O1_11 C1_11 46.9(3) . . . . ?
O1_9 Al3 O1_11 C1_11 -73.4(3) . . . . ?
O1_12 Al3 O1_11 C1_11 167.5(2) . . . . ?
Al3 O1_11 C1_11 C4_11 73.9(3) . . . . ?
Al3 O1_11 C1_11 C3_11 -47.7(3) . . . . ?
Al3 O1_11 C1_11 C2_11 -167.1(2) . . . . ?
O1_11 C1_11 C2_11 F1_11 -41.4(2) . . . . ?
C4_11 C1_11 C2_11 F1_11 77.7(2) . . . . ?
C3_11 C1_11 C2_11 F1_11 -162.25(18) . . . . ?
O1_11 C1_11 C2_11 F3_11 78.0(2) . . . . ?
C4_11 C1_11 C2_11 F3_11 -162.85(18) . . . . ?
C3_11 C1_11 C2_11 F3_11 -42.8(2) . . . . ?
O1_11 C1_11 C2_11 F2_11 -161.35(18) . . . . ?
C4_11 C1_11 C2_11 F2_11 -42.2(2) . . . . ?
C3_11 C1_11 C2_11 F2_11 77.8(2) . . . . ?
O1_11 C1_11 C3_11 F5_11 -44.9(2) . . . . ?
C4_11 C1_11 C3_11 F5_11 -166.31(17) . . . . ?
C2_11 C1_11 C3_11 F5_11 74.0(2) . . . . ?
O1_11 C1_11 C3_11 F6_11 -165.57(17) . . . . ?
C4_11 C1_11 C3_11 F6_11 73.0(2) . . . . ?
C2_11 C1_11 C3_11 F6_11 -46.7(2) . . . . ?
O1_11 C1_11 C3_11 F4_11 73.5(2) . . . . ?
C4_11 C1_11 C3_11 F4_11 -47.9(2) . . . . ?
C2_11 C1_11 C3_11 F4_11 -167.62(17) . . . . ?
O1_11 C1_11 C4_11 F8_11 -168.56(17) . . . . ?
C3_11 C1_11 C4_11 F8_11 -46.2(2) . . . . ?
C2_11 C1_11 C4_11 F8_11 73.3(2) . . . . ?
O1_11 C1_11 C4_11 F7_11 -47.8(2) . . . . ?
C3_11 C1_11 C4_11 F7_11 74.6(2) . . . . ?
C2_11 C1_11 C4_11 F7_11 -165.96(18) . . . . ?
O1_11 C1_11 C4_11 F9_11 70.8(2) . . . . ?
C3_11 C1_11 C4_11 F9_11 -166.78(18) . . . . ?
C2_11 C1_11 C4_11 F9_11 -47.3(2) . . . . ?
O1_11 Al3 O1_12 C1_12 -35.3(3) . . . . ?
O1_10 Al3 O1_12 C1_12 82.8(3) . . . . ?
O1_9 Al3 O1_12 C1_12 -158.0(2) . . . . ?
Al3 O1_12 C1_12 C3_12 94.4(3) . . . . ?
Al3 O1_12 C1_12 C2_12 -27.5(3) . . . . ?
Al3 O1_12 C1_12 C4_12 -147.0(2) . . . . ?
O1_12 C1_12 C2_12 F1_12 -37.5(3) . . . . ?
C3_12 C1_12 C2_12 F1_12 -159.86(19) . . . . ?
C4_12 C1_12 C2_12 F1_12 81.4(2) . . . . ?
O1_12 C1_12 C2_12 F2_12 -158.01(19) . . . . ?
C3_12 C1_12 C2_12 F2_12 79.7(2) . . . . ?
C4_12 C1_12 C2_12 F2_12 -39.0(3) . . . . ?
O1_12 C1_12 C2_12 F3_12 81.4(2) . . . . ?
C3_12 C1_12 C2_12 F3_12 -40.9(2) . . . . ?
C4_12 C1_12 C2_12 F3_12 -159.58(18) . . . . ?
O1_12 C1_12 C3_12 F5_12 -47.7(3) . . . . ?
C2_12 C1_12 C3_12 F5_12 76.1(2) . . . . ?
C4_12 C1_12 C3_12 F5_12 -165.42(19) . . . . ?
O1_12 C1_12 C3_12 F4_12 71.7(2) . . . . ?
C2_12 C1_12 C3_12 F4_12 -164.55(18) . . . . ?
C4_12 C1_12 C3_12 F4_12 -46.1(2) . . . . ?
O1_12 C1_12 C3_12 F6_12 -168.23(18) . . . . ?
C2_12 C1_12 C3_12 F6_12 -44.4(3) . . . . ?
C4_12 C1_12 C3_12 F6_12 74.0(2) . . . . ?
O1_12 C1_12 C4_12 F7_12 -44.9(2) . . . . ?
C3_12 C1_12 C4_12 F7_12 74.3(2) . . . . ?
C2_12 C1_12 C4_12 F7_12 -166.82(19) . . . . ?
O1_12 C1_12 C4_12 F9_12 75.1(2) . . . . ?
C3_12 C1_12 C4_12 F9_12 -165.68(19) . . . . ?
C2_12 C1_12 C4_12 F9_12 -46.8(2) . . . . ?
O1_12 C1_12 C4_12 F8_12 -164.5(2) . . . . ?
C3_12 C1_12 C4_12 F8_12 -45.3(3) . . . . ?
C2_12 C1_12 C4_12 F8_12 73.6(2) . . . . ?
O1_14 Al4 O1_13 C1_13 168.1(9) . . . . ?
O1_16 Al4 O1_13 C1_13 45.3(10) . . . . ?
O1_15 Al4 O1_13 C1_13 -70.6(10) . . . . ?
Al4 O1_13 C1_13 C4_13 -122.9(9) . . . . ?
Al4 O1_13 C1_13 C3_13 119.8(9) . . . . ?
Al4 O1_13 C1_13 C2_13 -4.3(11) . . . . ?
O1_13 C1_13 C2_13 F1_13 -74.5(6) . . . . ?
C4_13 C1_13 C2_13 F1_13 42.1(6) . . . . ?
C3_13 C1_13 C2_13 F1_13 161.4(4) . . . . ?
O1_13 C1_13 C2_13 F2_13 164.0(5) . . . . ?
C4_13 C1_13 C2_13 F2_13 -79.3(5) . . . . ?
C3_13 C1_13 C2_13 F2_13 39.9(6) . . . . ?
O1_13 C1_13 C2_13 F3_13 46.5(6) . . . . ?
C4_13 C1_13 C2_13 F3_13 163.1(4) . . . . ?
C3_13 C1_13 C2_13 F3_13 -77.6(5) . . . . ?
O1_13 C1_13 C3_13 F4_13 39.4(7) . . . . ?
C4_13 C1_13 C3_13 F4_13 -76.6(6) . . . . ?
C2_13 C1_13 C3_13 F4_13 163.4(5) . . . . ?
O1_13 C1_13 C3_13 F5_13 -78.8(6) . . . . ?
C4_13 C1_13 C3_13 F5_13 165.2(5) . . . . ?
C2_13 C1_13 C3_13 F5_13 45.3(6) . . . . ?
O1_13 C1_13 C3_13 F6_13 161.8(6) . . . . ?
C4_13 C1_13 C3_13 F6_13 45.8(7) . . . . ?
C2_13 C1_13 C3_13 F6_13 -74.1(7) . . . . ?
O1_13 C1_13 C4_13 F7_13 -75.5(6) . . . . ?
C3_13 C1_13 C4_13 F7_13 43.7(6) . . . . ?
C2_13 C1_13 C4_13 F7_13 164.7(4) . . . . ?
O1_13 C1_13 C4_13 F9_13 45.7(6) . . . . ?
C3_13 C1_13 C4_13 F9_13 164.9(5) . . . . ?
C2_13 C1_13 C4_13 F9_13 -74.0(5) . . . . ?
O1_13 C1_13 C4_13 F8_13 163.8(5) . . . . ?
C3_13 C1_13 C4_13 F8_13 -77.0(6) . . . . ?
C2_13 C1_13 C4_13 F8_13 44.1(6) . . . . ?
O1_13 Al4 O1_14 C1_14 -31.1(6) . . . . ?
O1_16 Al4 O1_14 C1_14 89.2(5) . . . . ?
O1_15 Al4 O1_14 C1_14 -160.0(5) . . . . ?
Al4 O1_14 C1_14 C3_14 54.3(7) . . . . ?
Al4 O1_14 C1_14 C2_14 -67.6(6) . . . . ?
Al4 O1_14 C1_14 C4_14 175.1(4) . . . . ?
O1_14 C1_14 C2_14 F1_14 -75.7(4) . . . . ?
C3_14 C1_14 C2_14 F1_14 160.9(4) . . . . ?
C4_14 C1_14 C2_14 F1_14 41.2(4) . . . . ?
O1_14 C1_14 C2_14 F3_14 43.4(4) . . . . ?
C3_14 C1_14 C2_14 F3_14 -79.9(4) . . . . ?
C4_14 C1_14 C2_14 F3_14 160.4(3) . . . . ?
O1_14 C1_14 C2_14 F2_14 163.9(3) . . . . ?
C3_14 C1_14 C2_14 F2_14 40.6(5) . . . . ?
C4_14 C1_14 C2_14 F2_14 -79.1(4) . . . . ?
O1_14 C1_14 C3_14 F4_14 39.5(6) . . . . ?
C2_14 C1_14 C3_14 F4_14 161.9(4) . . . . ?
C4_14 C1_14 C3_14 F4_14 -79.7(5) . . . . ?
O1_14 C1_14 C3_14 F6_14 161.5(5) . . . . ?
C2_14 C1_14 C3_14 F6_14 -76.1(6) . . . . ?
C4_14 C1_14 C3_14 F6_14 42.3(6) . . . . ?
O1_14 C1_14 C3_14 F5_14 -79.3(5) . . . . ?
C2_14 C1_14 C3_14 F5_14 43.1(5) . . . . ?
C4_14 C1_14 C3_14 F5_14 161.5(4) . . . . ?
O1_14 C1_14 C4_14 F9_14 43.0(5) . . . . ?
C3_14 C1_14 C4_14 F9_14 164.9(4) . . . . ?
C2_14 C1_14 C4_14 F9_14 -75.8(4) . . . . ?
O1_14 C1_14 C4_14 F7_14 -78.1(4) . . . . ?
C3_14 C1_14 C4_14 F7_14 43.8(5) . . . . ?
C2_14 C1_14 C4_14 F7_14 163.1(3) . . . . ?
O1_14 C1_14 C4_14 F8_14 163.6(3) . . . . ?
C3_14 C1_14 C4_14 F8_14 -74.5(5) . . . . ?
C2_14 C1_14 C4_14 F8_14 44.7(5) . . . . ?
O1_13 Al4 O1_15 C1_15 -67.3(6) . . . . ?
O1_14 Al4 O1_15 C1_15 56.7(5) . . . . ?
O1_16 Al4 O1_15 C1_15 174.0(5) . . . . ?
Al4 O1_15 C1_15 C2_15 -1.2(7) . . . . ?
Al4 O1_15 C1_15 C3_15 119.2(4) . . . . ?
Al4 O1_15 C1_15 C4_15 -123.0(5) . . . . ?
O1_15 C1_15 C2_15 F1_15 -76.9(4) . . . . ?
C3_15 C1_15 C2_15 F1_15 162.4(3) . . . . ?
C4_15 C1_15 C2_15 F1_15 45.0(5) . . . . ?
O1_15 C1_15 C2_15 F3_15 42.3(5) . . . . ?
C3_15 C1_15 C2_15 F3_15 -78.5(4) . . . . ?
C4_15 C1_15 C2_15 F3_15 164.1(4) . . . . ?
O1_15 C1_15 C2_15 F2_15 160.5(4) . . . . ?
C3_15 C1_15 C2_15 F2_15 39.7(5) . . . . ?
C4_15 C1_15 C2_15 F2_15 -77.7(5) . . . . ?
O1_15 C1_15 C3_15 F6_15 163.3(3) . . . . ?
C2_15 C1_15 C3_15 F6_15 -73.9(4) . . . . ?
C4_15 C1_15 C3_15 F6_15 44.5(4) . . . . ?
O1_15 C1_15 C3_15 F5_15 -75.1(4) . . . . ?
C2_15 C1_15 C3_15 F5_15 47.6(4) . . . . ?
C4_15 C1_15 C3_15 F5_15 166.1(3) . . . . ?
O1_15 C1_15 C3_15 F4_15 43.4(4) . . . . ?
C2_15 C1_15 C3_15 F4_15 166.1(3) . . . . ?
C4_15 C1_15 C3_15 F4_15 -75.4(4) . . . . ?
O1_15 C1_15 C4_15 F7_15 -72.4(5) . . . . ?
C2_15 C1_15 C4_15 F7_15 164.0(4) . . . . ?
C3_15 C1_15 C4_15 F7_15 46.2(5) . . . . ?
O1_15 C1_15 C4_15 F8_15 164.9(4) . . . . ?
C2_15 C1_15 C4_15 F8_15 41.3(5) . . . . ?
C3_15 C1_15 C4_15 F8_15 -76.4(5) . . . . ?
O1_15 C1_15 C4_15 F9_15 47.7(5) . . . . ?
C2_15 C1_15 C4_15 F9_15 -75.9(5) . . . . ?
C3_15 C1_15 C4_15 F9_15 166.3(4) . . . . ?
O1_13 Al4 O1_16 C1_16 -174.9(6) . . . . ?
O1_14 Al4 O1_16 C1_16 63.3(6) . . . . ?
O1_15 Al4 O1_16 C1_16 -49.1(6) . . . . ?
Al4 O1_16 C1_16 C2_16 117.4(5) . . . . ?
Al4 O1_16 C1_16 C3_16 -119.5(5) . . . . ?
Al4 O1_16 C1_16 C4_16 -1.2(7) . . . . ?
O1_16 C1_16 C2_16 F2_16 -165.6(3) . . . . ?
C3_16 C1_16 C2_16 F2_16 70.9(4) . . . . ?
C4_16 C1_16 C2_16 F2_16 -44.4(4) . . . . ?
O1_16 C1_16 C2_16 F1_16 -41.9(5) . . . . ?
C3_16 C1_16 C2_16 F1_16 -165.3(4) . . . . ?
C4_16 C1_16 C2_16 F1_16 79.3(4) . . . . ?
O1_16 C1_16 C2_16 F3_16 74.8(4) . . . . ?
C3_16 C1_16 C2_16 F3_16 -48.6(4) . . . . ?
C4_16 C1_16 C2_16 F3_16 -164.0(3) . . . . ?
O1_16 C1_16 C3_16 F6_16 -164.9(3) . . . . ?
C2_16 C1_16 C3_16 F6_16 -41.2(5) . . . . ?
C4_16 C1_16 C3_16 F6_16 74.2(4) . . . . ?
O1_16 C1_16 C3_16 F5_16 -44.6(4) . . . . ?
C2_16 C1_16 C3_16 F5_16 79.2(4) . . . . ?
C4_16 C1_16 C3_16 F5_16 -165.5(3) . . . . ?
O1_16 C1_16 C3_16 F4_16 74.5(4) . . . . ?
C2_16 C1_16 C3_16 F4_16 -161.7(3) . . . . ?
C4_16 C1_16 C3_16 F4_16 -46.4(4) . . . . ?
O1_16 C1_16 C4_16 F7_16 -37.0(4) . . . . ?
C2_16 C1_16 C4_16 F7_16 -158.4(3) . . . . ?
C3_16 C1_16 C4_16 F7_16 83.8(4) . . . . ?
O1_16 C1_16 C4_16 F9_16 80.9(4) . . . . ?
C2_16 C1_16 C4_16 F9_16 -40.5(4) . . . . ?
C3_16 C1_16 C4_16 F9_16 -158.3(3) . . . . ?
O1_16 C1_16 C4_16 F8_16 -158.8(3) . . . . ?
C2_16 C1_16 C4_16 F8_16 79.8(4) . . . . ?
C3_16 C1_16 C4_16 F8_16 -38.0(4) . . . . ?
F1_17 C1_17 C2_17 F2_17 -1.4(4) . . . . ?
C6_17 C1_17 C2_17 F2_17 178.7(3) . . . . ?
F1_17 C1_17 C2_17 C3_17 179.5(2) . . . . ?
C6_17 C1_17 C2_17 C3_17 -0.5(4) . . . . ?
F2_17 C2_17 C3_17 C4_17 -178.9(2) . . . . ?
C1_17 C2_17 C3_17 C4_17 0.3(4) . . . . ?
C2_17 C3_17 C4_17 C5_17 -0.2(4) . . . . ?
C3_17 C4_17 C5_17 C6_17 0.2(5) . . . . ?
F1_17 C1_17 C6_17 C5_17 -179.4(3) . . . . ?
C2_17 C1_17 C6_17 C5_17 0.5(5) . . . . ?
C4_17 C5_17 C6_17 C1_17 -0.4(5) . . . . ?
F1_18 C1_18 C2_18 F2_18 -0.9(4) . . . . ?
C6_18 C1_18 C2_18 F2_18 177.5(3) . . . . ?
F1_18 C1_18 C2_18 C3_18 -179.4(3) . . . . ?
C6_18 C1_18 C2_18 C3_18 -1.0(5) . . . . ?
F2_18 C2_18 C3_18 C4_18 -178.4(3) . . . . ?
C1_18 C2_18 C3_18 C4_18 0.1(4) . . . . ?
C2_18 C3_18 C4_18 C5_18 0.8(5) . . . . ?
C3_18 C4_18 C5_18 C6_18 -0.8(5) . . . . ?
F1_18 C1_18 C6_18 C5_18 179.3(3) . . . . ?
C2_18 C1_18 C6_18 C5_18 1.0(5) . . . . ?
C4_18 C5_18 C6_18 C1_18 0.0(5) . . . . ?
F1_19 C1_19 C2_19 F2_19 0.5(4) . . . . ?
C6_19 C1_19 C2_19 F2_19 -178.9(2) . . . . ?
F1_19 C1_19 C2_19 C3_19 179.4(2) . . . . ?
C6_19 C1_19 C2_19 C3_19 0.0(4) . . . . ?
F2_19 C2_19 C3_19 C4_19 179.0(2) . . . . ?
C1_19 C2_19 C3_19 C4_19 0.1(4) . . . . ?
C2_19 C3_19 C4_19 C5_19 -0.4(4) . . . . ?
C3_19 C4_19 C5_19 C6_19 0.6(4) . . . . ?
F1_19 C1_19 C6_19 C5_19 -179.3(2) . . . . ?
C2_19 C1_19 C6_19 C5_19 0.2(4) . . . . ?
C4_19 C5_19 C6_19 C1_19 -0.5(4) . . . . ?
O1_24 Al4 O1_20 C1_20 -43.2(14) . . . . ?
O1_21 Al4 O1_20 C1_20 -176.8(13) . . . . ?
O1_29 Al4 O1_20 C1_20 74.1(14) . . . . ?
Al4 O1_20 C1_20 C4_20 128.7(12) . . . . ?
Al4 O1_20 C1_20 C3_20 5.8(17) . . . . ?
Al4 O1_20 C1_20 C2_20 -112.7(12) . . . . ?
O1_20 C1_20 C2_20 F2_20 74.5(10) . . . . ?
C4_20 C1_20 C2_20 F2_20 -167.2(8) . . . . ?
C3_20 C1_20 C2_20 F2_20 -45.5(10) . . . . ?
O1_20 C1_20 C2_20 F3_20 -166.9(8) . . . . ?
C4_20 C1_20 C2_20 F3_20 -48.6(10) . . . . ?
C3_20 C1_20 C2_20 F3_20 73.1(9) . . . . ?
O1_20 C1_20 C2_20 F1_20 -45.1(9) . . . . ?
C4_20 C1_20 C2_20 F1_20 73.2(9) . . . . ?
C3_20 C1_20 C2_20 F1_20 -165.1(7) . . . . ?
O1_20 C1_20 C3_20 F5_20 -39.6(10) . . . . ?
C4_20 C1_20 C3_20 F5_20 -160.7(7) . . . . ?
C2_20 C1_20 C3_20 F5_20 79.2(9) . . . . ?
O1_20 C1_20 C3_20 F6_20 -162.4(7) . . . . ?
C4_20 C1_20 C3_20 F6_20 76.5(9) . . . . ?
C2_20 C1_20 C3_20 F6_20 -43.6(9) . . . . ?
O1_20 C1_20 C3_20 F4_20 79.0(9) . . . . ?
C4_20 C1_20 C3_20 F4_20 -42.1(9) . . . . ?
C2_20 C1_20 C3_20 F4_20 -162.2(7) . . . . ?
O1_20 C1_20 C4_20 F9_20 74.8(10) . . . . ?
C3_20 C1_20 C4_20 F9_20 -163.0(8) . . . . ?
C2_20 C1_20 C4_20 F9_20 -43.5(10) . . . . ?
O1_20 C1_20 C4_20 F8_20 -47.3(10) . . . . ?
C3_20 C1_20 C4_20 F8_20 74.9(10) . . . . ?
C2_20 C1_20 C4_20 F8_20 -165.6(8) . . . . ?
O1_20 C1_20 C4_20 F7_20 -164.9(8) . . . . ?
C3_20 C1_20 C4_20 F7_20 -42.7(10) . . . . ?
C2_20 C1_20 C4_20 F7_20 76.8(9) . . . . ?
O1_24 Al4 O1_21 C1_21 -149.2(18) . . . . ?
O1_20 Al4 O1_21 C1_21 -15(2) . . . . ?
O1_29 Al4 O1_21 C1_21 93.2(19) . . . . ?
Al4 O1_21 C1_21 C3_21 37(2) . . . . ?
Al4 O1_21 C1_21 C4_21 159.7(16) . . . . ?
Al4 O1_21 C1_21 C2_21 -83(2) . . . . ?
O1_21 C1_21 C2_21 F1_21 -76.0(13) . . . . ?
C3_21 C1_21 C2_21 F1_21 161.1(10) . . . . ?
C4_21 C1_21 C2_21 F1_21 40.8(13) . . . . ?
O1_21 C1_21 C2_21 F3_21 45.8(13) . . . . ?
C3_21 C1_21 C2_21 F3_21 -77.2(12) . . . . ?
C4_21 C1_21 C2_21 F3_21 162.6(10) . . . . ?
O1_21 C1_21 C2_21 F2_21 165.1(11) . . . . ?
C3_21 C1_21 C2_21 F2_21 42.2(13) . . . . ?
C4_21 C1_21 C2_21 F2_21 -78.0(12) . . . . ?
O1_21 C1_21 C3_21 F5_21 -75.5(12) . . . . ?
C4_21 C1_21 C3_21 F5_21 162.9(9) . . . . ?
C2_21 C1_21 C3_21 F5_21 43.6(12) . . . . ?
O1_21 C1_21 C3_21 F6_21 162.0(11) . . . . ?
C4_21 C1_21 C3_21 F6_21 40.5(13) . . . . ?
C2_21 C1_21 C3_21 F6_21 -78.9(12) . . . . ?
O1_21 C1_21 C3_21 F4_21 40.9(14) . . . . ?
C4_21 C1_21 C3_21 F4_21 -80.7(11) . . . . ?
C2_21 C1_21 C3_21 F4_21 160.0(9) . . . . ?
O1_21 C1_21 C4_21 F8_21 161.3(10) . . . . ?
C3_21 C1_21 C4_21 F8_21 -74.2(11) . . . . ?
C2_21 C1_21 C4_21 F8_21 45.3(11) . . . . ?
O1_21 C1_21 C4_21 F7_21 -79.0(11) . . . . ?
C3_21 C1_21 C4_21 F7_21 45.5(11) . . . . ?
C2_21 C1_21 C4_21 F7_21 165.0(9) . . . . ?
O1_21 C1_21 C4_21 F9_21 39.7(12) . . . . ?
C3_21 C1_21 C4_21 F9_21 164.1(9) . . . . ?
C2_21 C1_21 C4_21 F9_21 -76.3(11) . . . . ?
O1_25 Al2 O1_22 C1_22 41(3) . . . . ?
O1_30 Al2 O1_22 C1_22 157(2) . . . . ?
O1_23 Al2 O1_22 C1_22 -77(3) . . . . ?
Al2 O1_22 C1_22 C3_22 22(3) . . . . ?
Al2 O1_22 C1_22 C4_22 145(2) . . . . ?
Al2 O1_22 C1_22 C2_22 -98(2) . . . . ?
O1_22 C1_22 C2_22 F1_22 -72.4(13) . . . . ?
C3_22 C1_22 C2_22 F1_22 164.2(8) . . . . ?
C4_22 C1_22 C2_22 F1_22 44.4(10) . . . . ?
O1_22 C1_22 C2_22 F3_22 46.3(13) . . . . ?
C3_22 C1_22 C2_22 F3_22 -77.1(10) . . . . ?
C4_22 C1_22 C2_22 F3_22 163.0(9) . . . . ?
O1_22 C1_22 C2_22 F2_22 166.8(11) . . . . ?
C3_22 C1_22 C2_22 F2_22 43.4(10) . . . . ?
C4_22 C1_22 C2_22 F2_22 -76.4(9) . . . . ?
O1_22 C1_22 C3_22 F5_22 -69.6(14) . . . . ?
C4_22 C1_22 C3_22 F5_22 168.6(9) . . . . ?
C2_22 C1_22 C3_22 F5_22 50.3(11) . . . . ?
O1_22 C1_22 C3_22 F6_22 164.2(12) . . . . ?
C4_22 C1_22 C3_22 F6_22 42.4(11) . . . . ?
C2_22 C1_22 C3_22 F6_22 -75.9(10) . . . . ?
O1_22 C1_22 C3_22 F4_22 44.9(15) . . . . ?
C4_22 C1_22 C3_22 F4_22 -76.9(12) . . . . ?
C2_22 C1_22 C3_22 F4_22 164.8(11) . . . . ?
O1_22 C1_22 C4_22 F7_22 -73.5(11) . . . . ?
C3_22 C1_22 C4_22 F7_22 51.5(10) . . . . ?
C2_22 C1_22 C4_22 F7_22 169.8(7) . . . . ?
O1_22 C1_22 C4_22 F8_22 166.4(10) . . . . ?
C3_22 C1_22 C4_22 F8_22 -68.6(11) . . . . ?
C2_22 C1_22 C4_22 F8_22 49.7(11) . . . . ?
O1_22 C1_22 C4_22 F9_22 48.7(13) . . . . ?
C3_22 C1_22 C4_22 F9_22 173.7(10) . . . . ?
C2_22 C1_22 C4_22 F9_22 -68.0(11) . . . . ?
O1_25 Al2 O1_23 C1_23 151(5) . . . . ?
O1_30 Al2 O1_23 C1_23 24(6) . . . . ?
O1_22 Al2 O1_23 C1_23 -89(5) . . . . ?
Al2 O1_23 C1_23 C4_23 19(6) . . . . ?
Al2 O1_23 C1_23 C2_23 138(5) . . . . ?
Al2 O1_23 C1_23 C3_23 -102(5) . . . . ?
O1_23 C1_23 C2_23 F2_23 163.6(18) . . . . ?
C4_23 C1_23 C2_23 F2_23 -76.3(13) . . . . ?
C3_23 C1_23 C2_23 F2_23 42.3(14) . . . . ?
O1_23 C1_23 C2_23 F1_23 -75.5(18) . . . . ?
C4_23 C1_23 C2_23 F1_23 44.6(13) . . . . ?
C3_23 C1_23 C2_23 F1_23 163.2(10) . . . . ?
O1_23 C1_23 C2_23 F3_23 40(2) . . . . ?
C4_23 C1_23 C2_23 F3_23 160.0(16) . . . . ?
C3_23 C1_23 C2_23 F3_23 -81.4(17) . . . . ?
O1_23 C1_23 C3_23 F5_23 -76.2(19) . . . . ?
C4_23 C1_23 C3_23 F5_23 162.9(10) . . . . ?
C2_23 C1_23 C3_23 F5_23 44.3(13) . . . . ?
O1_23 C1_23 C3_23 F6_23 161.6(18) . . . . ?
C4_23 C1_23 C3_23 F6_23 40.7(13) . . . . ?
C2_23 C1_23 C3_23 F6_23 -77.9(12) . . . . ?
O1_23 C1_23 C3_23 F4_23 38(2) . . . . ?
C4_23 C1_23 C3_23 F4_23 -83.2(13) . . . . ?
C2_23 C1_23 C3_23 F4_23 158.2(12) . . . . ?
O1_23 C1_23 C4_23 F8_23 161.1(17) . . . . ?
C2_23 C1_23 C4_23 F8_23 41.3(13) . . . . ?
C3_23 C1_23 C4_23 F8_23 -77.5(12) . . . . ?
O1_23 C1_23 C4_23 F9_23 40(2) . . . . ?
C2_23 C1_23 C4_23 F9_23 -79.9(14) . . . . ?
C3_23 C1_23 C4_23 F9_23 161.3(12) . . . . ?
O1_23 C1_23 C4_23 F7_23 -77.0(19) . . . . ?
C2_23 C1_23 C4_23 F7_23 163.3(11) . . . . ?
C3_23 C1_23 C4_23 F7_23 44.4(13) . . . . ?
F8_23 C4_23 F7_23 F7_30 -137(3) . . . . ?
F9_23 C4_23 F7_23 F7_30 -23(3) . . . . ?
C1_23 C4_23 F7_23 F7_30 99(3) . . . . ?
O1_20 Al4 O1_24 C1_24 -112.1(13) . . . . ?
O1_21 Al4 O1_24 C1_24 20.4(16) . . . . ?
O1_29 Al4 O1_24 C1_24 134.7(14) . . . . ?
Al4 O1_24 C1_24 C3_24 -54.2(17) . . . . ?
Al4 O1_24 C1_24 C4_24 67.9(16) . . . . ?
Al4 O1_24 C1_24 C2_24 -174.6(12) . . . . ?
O1_24 C1_24 C2_24 F3_24 -37.2(12) . . . . ?
C3_24 C1_24 C2_24 F3_24 -159.7(9) . . . . ?
C4_24 C1_24 C2_24 F3_24 81.1(11) . . . . ?
O1_24 C1_24 C2_24 F2_24 81.1(10) . . . . ?
C3_24 C1_24 C2_24 F2_24 -41.4(10) . . . . ?
C4_24 C1_24 C2_24 F2_24 -160.6(8) . . . . ?
O1_24 C1_24 C2_24 F1_24 -159.8(9) . . . . ?
C3_24 C1_24 C2_24 F1_24 77.7(10) . . . . ?
C4_24 C1_24 C2_24 F1_24 -41.5(11) . . . . ?
O1_24 C1_24 C3_24 F5_24 -38.9(11) . . . . ?
C4_24 C1_24 C3_24 F5_24 -161.1(8) . . . . ?
C2_24 C1_24 C3_24 F5_24 80.5(9) . . . . ?
O1_24 C1_24 C3_24 F4_24 -155.2(9) . . . . ?
C4_24 C1_24 C3_24 F4_24 82.7(10) . . . . ?
C2_24 C1_24 C3_24 F4_24 -35.8(11) . . . . ?
O1_24 C1_24 C3_24 F6_24 83.1(10) . . . . ?
C4_24 C1_24 C3_24 F6_24 -39.0(10) . . . . ?
C2_24 C1_24 C3_24 F6_24 -157.5(7) . . . . ?
O1_24 C1_24 C4_24 F8_24 -53.3(12) . . . . ?
C3_24 C1_24 C4_24 F8_24 70.7(11) . . . . ?
C2_24 C1_24 C4_24 F8_24 -170.3(9) . . . . ?
O1_24 C1_24 C4_24 F7_24 -163.9(9) . . . . ?
C3_24 C1_24 C4_24 F7_24 -39.9(11) . . . . ?
C2_24 C1_24 C4_24 F7_24 79.1(10) . . . . ?
O1_24 C1_24 C4_24 F9_24 73.5(10) . . . . ?
C3_24 C1_24 C4_24 F9_24 -162.5(8) . . . . ?
C2_24 C1_24 C4_24 F9_24 -43.5(10) . . . . ?
O1_30 Al2 O1_25 C1_25 82(6) . . . . ?
O1_23 Al2 O1_25 C1_25 -49(6) . . . . ?
O1_22 Al2 O1_25 C1_25 -171(6) . . . . ?
Al2 O1_25 C1_25 C3_25 -144(6) . . . . ?
Al2 O1_25 C1_25 C4_25 -25(7) . . . . ?
Al2 O1_25 C1_25 C2_25 95(6) . . . . ?
O1_25 C1_25 C2_25 F1_25 -42(2) . . . . ?
C3_25 C1_25 C2_25 F1_25 -164.4(13) . . . . ?
C4_25 C1_25 C2_25 F1_25 77.5(15) . . . . ?
O1_25 C1_25 C2_25 F2_25 -169(2) . . . . ?
C3_25 C1_25 C2_25 F2_25 69.1(16) . . . . ?
C4_25 C1_25 C2_25 F2_25 -49.0(16) . . . . ?
O1_25 C1_25 C2_25 F3_25 78.7(19) . . . . ?
C3_25 C1_25 C2_25 F3_25 -43.4(14) . . . . ?
C4_25 C1_25 C2_25 F3_25 -161.5(12) . . . . ?
O1_25 C1_25 C3_25 F5_25 -46(2) . . . . ?
C4_25 C1_25 C3_25 F5_25 -166.2(13) . . . . ?
C2_25 C1_25 C3_25 F5_25 74.3(15) . . . . ?
O1_25 C1_25 C3_25 F4_25 74(2) . . . . ?
C4_25 C1_25 C3_25 F4_25 -45.9(14) . . . . ?
C2_25 C1_25 C3_25 F4_25 -165.5(12) . . . . ?
O1_25 C1_25 C3_25 F6_25 -169(2) . . . . ?
C4_25 C1_25 C3_25 F6_25 70.7(19) . . . . ?
C2_25 C1_25 C3_25 F6_25 -49(2) . . . . ?
O1_25 C1_25 C4_25 F7_25 -45(2) . . . . ?
C3_25 C1_25 C4_25 F7_25 76.5(15) . . . . ?
C2_25 C1_25 C4_25 F7_25 -163.7(14) . . . . ?
O1_25 C1_25 C4_25 F8_25 -173.6(18) . . . . ?
C3_25 C1_25 C4_25 F8_25 -52.5(14) . . . . ?
C2_25 C1_25 C4_25 F8_25 67.3(14) . . . . ?
O1_25 C1_25 C4_25 F9_25 76.6(19) . . . . ?
C3_25 C1_25 C4_25 F9_25 -162.4(12) . . . . ?
C2_25 C1_25 C4_25 F9_25 -42.6(14) . . . . ?
F1_26 C1_26 C2_26 F2_26 0(3) . . . . ?
C6_26 C1_26 C2_26 F2_26 178(3) . . . . ?
F1_26 C1_26 C2_26 C3_26 -179(2) . . . . ?
C6_26 C1_26 C2_26 C3_26 -1(2) . . . . ?
F2_26 C2_26 C3_26 C4_26 -180(3) . . . . ?
C1_26 C2_26 C3_26 C4_26 0(2) . . . . ?
C2_26 C3_26 C4_26 C5_26 0(5) . . . . ?
C3_26 C4_26 C5_26 C6_26 2(6) . . . . ?
F1_26 C1_26 C6_26 C5_26 -179(3) . . . . ?
C2_26 C1_26 C6_26 C5_26 3(4) . . . . ?
C4_26 C5_26 C6_26 C1_26 -3(6) . . . . ?
O1_32 Al1 O1_27 C1_27 -28(5) . . . . ?
Al1 O1_27 C1_27 C3_27 -77(5) . . . . ?
Al1 O1_27 C1_27 C4_27 44(5) . . . . ?
Al1 O1_27 C1_27 C2_27 166(4) . . . . ?
O1_27 C1_27 C2_27 F1_27 -81(2) . . . . ?
C3_27 C1_27 C2_27 F1_27 161.6(13) . . . . ?
C4_27 C1_27 C2_27 F1_27 40.8(15) . . . . ?
O1_27 C1_27 C2_27 F3_27 40(2) . . . . ?
C3_27 C1_27 C2_27 F3_27 -77.8(16) . . . . ?
C4_27 C1_27 C2_27 F3_27 161.3(15) . . . . ?
O1_27 C1_27 C2_27 F2_27 161(2) . . . . ?
C3_27 C1_27 C2_27 F2_27 42.9(19) . . . . ?
C4_27 C1_27 C2_27 F2_27 -78.0(19) . . . . ?
O1_27 C1_27 C3_27 F6_27 163.8(18) . . . . ?
C4_27 C1_27 C3_27 F6_27 43.1(13) . . . . ?
C2_27 C1_27 C3_27 F6_27 -79.1(13) . . . . ?
O1_27 C1_27 C3_27 F4_27 45.6(19) . . . . ?
C4_27 C1_27 C3_27 F4_27 -75.1(13) . . . . ?
C2_27 C1_27 C3_27 F4_27 162.6(11) . . . . ?
O1_27 C1_27 C3_27 F5_27 -74.8(18) . . . . ?
C4_27 C1_27 C3_27 F5_27 164.5(10) . . . . ?
C2_27 C1_27 C3_27 F5_27 42.3(13) . . . . ?
O1_27 C1_27 C4_27 F9_27 41.1(19) . . . . ?
C3_27 C1_27 C4_27 F9_27 161.0(10) . . . . ?
C2_27 C1_27 C4_27 F9_27 -79.1(13) . . . . ?
O1_27 C1_27 C4_27 F8_27 161.1(18) . . . . ?
C3_27 C1_27 C4_27 F8_27 -79.0(13) . . . . ?
C2_27 C1_27 C4_27 F8_27 40.9(14) . . . . ?
O1_27 C1_27 C4_27 F7_27 -80.0(19) . . . . ?
C3_27 C1_27 C4_27 F7_27 39.9(13) . . . . ?
C2_27 C1_27 C4_27 F7_27 159.8(11) . . . . ?
Al4 O1_28 C1_28 C2_28 -17(4) . . . . ?
Al4 O1_28 C1_28 C3_28 104(4) . . . . ?
Al4 O1_28 C1_28 C4_28 -137(3) . . . . ?
O1_28 C1_28 C2_28 F2_28 -178.6(16) . . . . ?
C3_28 C1_28 C2_28 F2_28 60.2(15) . . . . ?
C4_28 C1_28 C2_28 F2_28 -57.0(15) . . . . ?
O1_28 C1_28 C2_28 F1_28 -54.8(18) . . . . ?
C3_28 C1_28 C2_28 F1_28 -176.0(13) . . . . ?
C4_28 C1_28 C2_28 F1_28 66.8(15) . . . . ?
O1_28 C1_28 C2_28 F3_28 64.2(17) . . . . ?
C3_28 C1_28 C2_28 F3_28 -57.0(14) . . . . ?
C4_28 C1_28 C2_28 F3_28 -174.2(12) . . . . ?
O1_28 C1_28 C3_28 F4_28 64.1(18) . . . . ?
C2_28 C1_28 C3_28 F4_28 -172.1(12) . . . . ?
C4_28 C1_28 C3_28 F4_28 -55.7(15) . . . . ?
O1_28 C1_28 C3_28 F5_28 -60.6(18) . . . . ?
C2_28 C1_28 C3_28 F5_28 63.3(16) . . . . ?
C4_28 C1_28 C3_28 F5_28 179.6(13) . . . . ?
O1_28 C1_28 C3_28 F6_28 -177.0(16) . . . . ?
C2_28 C1_28 C3_28 F6_28 -53.1(16) . . . . ?
C4_28 C1_28 C3_28 F6_28 63.2(15) . . . . ?
O1_28 C1_28 C4_28 F9_28 72.9(17) . . . . ?
C2_28 C1_28 C4_28 F9_28 -50.9(15) . . . . ?
C3_28 C1_28 C4_28 F9_28 -168.0(12) . . . . ?
O1_28 C1_28 C4_28 F7_28 -49.2(18) . . . . ?
C2_28 C1_28 C4_28 F7_28 -173.0(13) . . . . ?
C3_28 C1_28 C4_28 F7_28 70.0(15) . . . . ?
O1_28 C1_28 C4_28 F8_28 -165.5(15) . . . . ?
C2_28 C1_28 C4_28 F8_28 70.8(14) . . . . ?
C3_28 C1_28 C4_28 F8_28 -46.3(14) . . . . ?
O1_24 Al4 O1_29 C1_29 -32(2) . . . . ?
O1_20 Al4 O1_29 C1_29 -154.0(19) . . . . ?
O1_21 Al4 O1_29 C1_29 90(2) . . . . ?
Al4 O1_29 C1_29 C4_29 46(2) . . . . ?
Al4 O1_29 C1_29 C3_29 -78(2) . . . . ?
Al4 O1_29 C1_29 C2_29 162.6(17) . . . . ?
O1_29 C1_29 C2_29 F2_29 163.8(10) . . . . ?
C4_29 C1_29 C2_29 F2_29 -76.7(11) . . . . ?
C3_29 C1_29 C2_29 F2_29 40.7(12) . . . . ?
O1_29 C1_29 C2_29 F1_29 -74.0(10) . . . . ?
C4_29 C1_29 C2_29 F1_29 45.5(11) . . . . ?
C3_29 C1_29 C2_29 F1_29 162.9(8) . . . . ?
O1_29 C1_29 C2_29 F3_29 46.6(11) . . . . ?
C4_29 C1_29 C2_29 F3_29 166.0(9) . . . . ?
C3_29 C1_29 C2_29 F3_29 -76.5(10) . . . . ?
O1_29 C1_29 C3_29 F5_29 -72.3(10) . . . . ?
C4_29 C1_29 C3_29 F5_29 162.5(7) . . . . ?
C2_29 C1_29 C3_29 F5_29 45.1(10) . . . . ?
O1_29 C1_29 C3_29 F4_29 46.1(11) . . . . ?
C4_29 C1_29 C3_29 F4_29 -79.1(9) . . . . ?
C2_29 C1_29 C3_29 F4_29 163.5(8) . . . . ?
O1_29 C1_29 C3_29 F6_29 167.2(9) . . . . ?
C4_29 C1_29 C3_29 F6_29 42.0(10) . . . . ?
C2_29 C1_29 C3_29 F6_29 -75.4(10) . . . . ?
O1_29 C1_29 C4_29 F8_29 161.4(8) . . . . ?
C3_29 C1_29 C4_29 F8_29 -72.0(9) . . . . ?
C2_29 C1_29 C4_29 F8_29 46.2(10) . . . . ?
O1_29 C1_29 C4_29 F7_29 -77.0(10) . . . . ?
C3_29 C1_29 C4_29 F7_29 49.7(10) . . . . ?
C2_29 C1_29 C4_29 F7_29 167.9(8) . . . . ?
O1_29 C1_29 C4_29 F9_29 41.4(10) . . . . ?
C3_29 C1_29 C4_29 F9_29 168.0(7) . . . . ?
C2_29 C1_29 C4_29 F9_29 -73.8(9) . . . . ?
O1_25 Al2 O1_30 C1_30 -162(4) . . . . ?
O1_23 Al2 O1_30 C1_30 -38(5) . . . . ?
O1_22 Al2 O1_30 C1_30 84(4) . . . . ?
Al2 O1_30 C1_30 C3_30 -52(4) . . . . ?
Al2 O1_30 C1_30 C2_30 -173(4) . . . . ?
Al2 O1_30 C1_30 C4_30 66(4) . . . . ?
O1_30 C1_30 C2_30 F2_30 163.8(16) . . . . ?
C3_30 C1_30 C2_30 F2_30 43.0(16) . . . . ?
C4_30 C1_30 C2_30 F2_30 -74.6(15) . . . . ?
O1_30 C1_30 C2_30 F3_30 43.5(17) . . . . ?
C3_30 C1_30 C2_30 F3_30 -77.3(15) . . . . ?
C4_30 C1_30 C2_30 F3_30 165.1(13) . . . . ?
O1_30 C1_30 C2_30 F1_30 -77.2(17) . . . . ?
C3_30 C1_30 C2_30 F1_30 162.0(13) . . . . ?
C4_30 C1_30 C2_30 F1_30 44.4(15) . . . . ?
O1_30 C1_30 C3_30 F6_30 163.2(16) . . . . ?
C2_30 C1_30 C3_30 F6_30 -76.1(16) . . . . ?
C4_30 C1_30 C3_30 F6_30 42.8(17) . . . . ?
O1_30 C1_30 C3_30 F4_30 38.9(18) . . . . ?
C2_30 C1_30 C3_30 F4_30 159.6(14) . . . . ?
C4_30 C1_30 C3_30 F4_30 -81.5(15) . . . . ?
O1_30 C1_30 C3_30 F5_30 -76.9(17) . . . . ?
C2_30 C1_30 C3_30 F5_30 43.7(16) . . . . ?
C4_30 C1_30 C3_30 F5_30 162.6(14) . . . . ?
O1_30 C1_30 C4_30 F9_30 42.4(19) . . . . ?
C3_30 C1_30 C4_30 F9_30 162.3(14) . . . . ?
C2_30 C1_30 C4_30 F9_30 -78.6(15) . . . . ?
O1_30 C1_30 C4_30 F7_30 -76.7(18) . . . . ?
C3_30 C1_30 C4_30 F7_30 43.2(16) . . . . ?
C2_30 C1_30 C4_30 F7_30 162.3(13) . . . . ?
O1_30 C1_30 C4_30 F8_30 162.4(17) . . . . ?
C3_30 C1_30 C4_30 F8_30 -77.7(15) . . . . ?
C2_30 C1_30 C4_30 F8_30 41.4(16) . . . . ?
C4_23 F7_23 F7_30 C4_30 -69(4) . . . . ?
F9_30 C4_30 F7_30 F7_23 -49(3) . . . . ?
F8_30 C4_30 F7_30 F7_23 -167(2) . . . . ?
C1_30 C4_30 F7_30 F7_23 72(3) . . . . ?
O1_33 Al2 O1_31 C1_31 -85(3) . . . . ?
Al2 O1_31 C1_31 C2_31 -163(3) . . . . ?
Al2 O1_31 C1_31 C3_31 -42(3) . . . . ?
Al2 O1_31 C1_31 C4_31 76(3) . . . . ?
O1_31 C1_31 C2_31 F1_31 -46.0(17) . . . . ?
C3_31 C1_31 C2_31 F1_31 -166.6(14) . . . . ?
C4_31 C1_31 C2_31 F1_31 72.8(16) . . . . ?
O1_31 C1_31 C2_31 F2_31 -165.6(16) . . . . ?
C3_31 C1_31 C2_31 F2_31 73.7(16) . . . . ?
C4_31 C1_31 C2_31 F2_31 -46.8(16) . . . . ?
O1_31 C1_31 C2_31 F3_31 74.7(18) . . . . ?
C3_31 C1_31 C2_31 F3_31 -46.0(17) . . . . ?
C4_31 C1_31 C2_31 F3_31 -166.5(14) . . . . ?
O1_31 C1_31 C3_31 F6_31 -167.9(16) . . . . ?
C2_31 C1_31 C3_31 F6_31 -48.1(17) . . . . ?
C4_31 C1_31 C3_31 F6_31 73.7(16) . . . . ?
O1_31 C1_31 C3_31 F4_31 73.0(18) . . . . ?
C2_31 C1_31 C3_31 F4_31 -167.2(14) . . . . ?
C4_31 C1_31 C3_31 F4_31 -45.4(17) . . . . ?
O1_31 C1_31 C3_31 F5_31 -47.2(18) . . . . ?
C2_31 C1_31 C3_31 F5_31 72.6(16) . . . . ?
C4_31 C1_31 C3_31 F5_31 -165.6(14) . . . . ?
O1_31 C1_31 C4_31 F8_31 -163.9(16) . . . . ?
C2_31 C1_31 C4_31 F8_31 77.1(16) . . . . ?
C3_31 C1_31 C4_31 F8_31 -44.3(17) . . . . ?
O1_31 C1_31 C4_31 F9_31 73.7(17) . . . . ?
C2_31 C1_31 C4_31 F9_31 -45.3(17) . . . . ?
C3_31 C1_31 C4_31 F9_31 -166.7(14) . . . . ?
O1_31 C1_31 C4_31 F7_31 -43.3(17) . . . . ?
C2_31 C1_31 C4_31 F7_31 -162.3(13) . . . . ?
C3_31 C1_31 C4_31 F7_31 76.2(15) . . . . ?
O1_27 Al1 O1_32 C1_32 158(5) . . . . ?
Al1 O1_32 C1_32 C2_32 -85(5) . . . . ?
Al1 O1_32 C1_32 C4_32 154(5) . . . . ?
Al1 O1_32 C1_32 C3_32 33(6) . . . . ?
O1_32 C1_32 C2_32 F3_32 44(2) . . . . ?
C4_32 C1_32 C2_32 F3_32 163.8(16) . . . . ?
C3_32 C1_32 C2_32 F3_32 -74.9(17) . . . . ?
O1_32 C1_32 C2_32 F1_32 -73(2) . . . . ?
C4_32 C1_32 C2_32 F1_32 46.4(18) . . . . ?
C3_32 C1_32 C2_32 F1_32 167.7(16) . . . . ?
O1_32 C1_32 C2_32 F2_32 169(2) . . . . ?
C4_32 C1_32 C2_32 F2_32 -71(2) . . . . ?
C3_32 C1_32 C2_32 F2_32 50(2) . . . . ?
O1_32 C1_32 C3_32 F4_32 46(2) . . . . ?
C2_32 C1_32 C3_32 F4_32 164.5(16) . . . . ?
C4_32 C1_32 C3_32 F4_32 -73.9(18) . . . . ?
O1_32 C1_32 C3_32 F5_32 -74(2) . . . . ?
C2_32 C1_32 C3_32 F5_32 44.2(17) . . . . ?
C4_32 C1_32 C3_32 F5_32 165.8(15) . . . . ?
O1_32 C1_32 C3_32 F6_32 166(2) . . . . ?
C2_32 C1_32 C3_32 F6_32 -75(2) . . . . ?
C4_32 C1_32 C3_32 F6_32 47(2) . . . . ?
O1_32 C1_32 C4_32 F8_32 178(2) . . . . ?
C2_32 C1_32 C4_32 F8_32 58.0(19) . . . . ?
C3_32 C1_32 C4_32 F8_32 -61.9(19) . . . . ?
O1_32 C1_32 C4_32 F9_32 49(3) . . . . ?
C2_32 C1_32 C4_32 F9_32 -71(2) . . . . ?
C3_32 C1_32 C4_32 F9_32 169.2(19) . . . . ?
O1_32 C1_32 C4_32 F7_32 -74(2) . . . . ?
C2_32 C1_32 C4_32 F7_32 166.7(15) . . . . ?
C3_32 C1_32 C4_32 F7_32 46.8(17) . . . . ?
O1_31 Al2 O1_33 C1_33 -90(6) . . . . ?
Al2 O1_33 C1_33 C3_33 -150(6) . . . . ?
Al2 O1_33 C1_33 C4_33 -28(6) . . . . ?
Al2 O1_33 C1_33 C2_33 90(6) . . . . ?
O1_33 C1_33 C2_33 F1_33 -161(2) . . . . ?
C3_33 C1_33 C2_33 F1_33 80(2) . . . . ?
C4_33 C1_33 C2_33 F1_33 -43(2) . . . . ?
O1_33 C1_33 C2_33 F2_33 -43(2) . . . . ?
C3_33 C1_33 C2_33 F2_33 -162.5(18) . . . . ?
C4_33 C1_33 C2_33 F2_33 74.6(19) . . . . ?
O1_33 C1_33 C2_33 F3_33 80(2) . . . . ?
C3_33 C1_33 C2_33 F3_33 -39.4(18) . . . . ?
C4_33 C1_33 C2_33 F3_33 -162.3(16) . . . . ?
O1_33 C1_33 C3_33 F6_33 -175(3) . . . . ?
C4_33 C1_33 C3_33 F6_33 65(2) . . . . ?
C2_33 C1_33 C3_33 F6_33 -57(2) . . . . ?
O1_33 C1_33 C3_33 F5_33 -51(3) . . . . ?
C4_33 C1_33 C3_33 F5_33 -170.3(19) . . . . ?
C2_33 C1_33 C3_33 F5_33 68(2) . . . . ?
O1_33 C1_33 C3_33 F4_33 67(2) . . . . ?
C4_33 C1_33 C3_33 F4_33 -53(2) . . . . ?
C2_33 C1_33 C3_33 F4_33 -174.3(19) . . . . ?
O1_33 C1_33 C4_33 F9_33 74(2) . . . . ?
C3_33 C1_33 C4_33 F9_33 -166.3(17) . . . . ?
C2_33 C1_33 C4_33 F9_33 -43.8(18) . . . . ?
O1_33 C1_33 C4_33 F7_33 -47(2) . . . . ?
C3_33 C1_33 C4_33 F7_33 73.2(17) . . . . ?
C2_33 C1_33 C4_33 F7_33 -164.3(15) . . . . ?
O1_33 C1_33 C4_33 F8_33 -168.7(19) . . . . ?
C3_33 C1_33 C4_33 F8_33 -49.0(18) . . . . ?
C2_33 C1_33 C4_33 F8_33 73.5(17) . . . . ?

_chemical_properties_physical    
Air-sensitive,Moisture-sensitive,Oxygen-sensitive
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_P-1_a_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2220002'
loop_
_audit_author_name
_audit_author_address
'Antoine Barthelemy'
;Albert Ludwigs University Freiburg
Germany
;
_audit_update_record             
;
2022-11-16 deposited with the CCDC.	2022-12-20 downloaded from the CCDC.
;
_audit_creation_method           
;FinalCif V110 by Daniel Kratzert, Freiburg 2022,
https://dkratzert.de/finalcif.html
;
_shelx_SHELXL_version_number     2019/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_sum            'C53 H30 Al F36 In O4 P2'
_chemical_formula_moiety         'C16 Al F36 O4, C37 H30 In P2'
_chemical_formula_weight         1618.51
_chemical_melting_point          ?
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.504(6)
_cell_length_b                   15.151(5)
_cell_length_c                   17.514(7)
_cell_angle_alpha                84.274(8)
_cell_angle_beta                 79.771(12)
_cell_angle_gamma                84.889(14)
_cell_volume                     2981(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9959
_cell_measurement_theta_min      2.266
_cell_measurement_theta_max      30.9485
_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: ortho-difluorobenzene'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.803
_exptl_crystal_F_000             1592
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.22
_vrf_PLAT308_P-1_a               
;PROBLEM: Single Bonded Metal Atom in Structure  (Unusual)        In1 Check 
RESPONSE: Hexaphenylcarbodiphosphorane is an extremely electron rich ligand.
Thus, the coordination of one ligand is sufficient to diminish the electron
deficit at the In+ center.
;
_exptl_crystal_size_min          0.08
_exptl_absorpt_coefficient_mu    0.623
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6571
_exptl_absorpt_correction_T_max  0.72
_exptl_absorpt_process_details   
;SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction:
Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., J. Appl. Cryst. 48
(2015) 3-10
;
_exptl_absorpt_special_details   ?
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_special_details           ?
_diffrn_ambient_temperature      100(2)
_diffrn_ambient_environment      N~2~
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'mirror optics'
_olex2_diffrn_ambient_temperature_device 'Oxford Cryostream 800'
_diffrn_measurement_ambient_temperature_device_make ?
_diffrn_radiation_probe          x-ray
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_source_current           1.4
_diffrn_detector                 CPAD
_diffrn_detector_type            'Bruker PHOTON III'
_diffrn_detector_area_resol_mean 7.41
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE dual wavelength Mo/Cu'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_reflns_number            168242
_diffrn_reflns_av_unetI/netI     0.0291
_diffrn_reflns_av_R_equivalents  0.0562
_diffrn_reflns_theta_min         1.354
_diffrn_reflns_theta_max         31.053
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             19043
_reflns_number_gt                15760
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_computing_data_collection       'Bruker BIS V6.2.14 Patch 4/2020-11-09'
_computing_cell_refinement       'SAINT V8.40B'
_computing_data_reduction        'SAINT V8.40B'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0695P)²+5.0911P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         19043
_refine_ls_number_parameters     1001
_refine_ls_number_restraints     4540
_refine_ls_R_factor_all          0.0559
_refine_ls_R_factor_gt           0.0442
_refine_ls_wR_factor_ref         0.1388
_refine_ls_wR_factor_gt          0.1296
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_restrained_S_all      0.945
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.702
_refine_diff_density_min         -2.468
_refine_diff_density_rms         0.100
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
In In -0.7276 1.3100 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
In1 In 0.83659(2) 0.20796(2) 0.29940(2) 0.03134(6) Uani 1 1 d . . . . .
P1 P 0.67118(4) 0.27553(3) 0.16662(3) 0.01232(9) Uani 1 1 d . . . . .
P2 P 0.54017(4) 0.26522(3) 0.33481(3) 0.01323(9) Uani 1 1 d . . . . .
Al4 Al 0.00321(5) 0.25385(4) 0.72849(4) 0.01239(11) Uani 1 1 d . . . . .
C1 C 0.66167(17) 0.25899(13) 0.26436(11) 0.0150(3) Uani 1 1 d . . . . .
C2 C 0.82365(17) 0.24079(13) 0.12810(11) 0.0139(3) Uani 1 1 d . . . . .
C3 C 0.91091(19) 0.30132(15) 0.11822(13) 0.0202(4) Uani 1 1 d . . . . .
H3 H 0.889287 0.362342 0.125239 0.024 Uiso 1 1 calc R U . . .
C30 C 0.3532(3) 0.49044(18) 0.41548(17) 0.0326(6) Uani 1 1 d . . . . .
H30 H 0.273075 0.509965 0.433199 0.039 Uiso 1 1 calc R U . . .
C31 C 0.3817(2) 0.40438(15) 0.39325(14) 0.0230(4) Uani 1 1 d . . . . .
H31 H 0.320852 0.365250 0.395529 0.028 Uiso 1 1 calc R U . . .
C32 C 0.40599(17) 0.22846(13) 0.31207(12) 0.0157(3) Uani 1 1 d . . . . .
C33 C 0.35230(19) 0.27739(15) 0.25393(13) 0.0198(4) Uani 1 1 d . . . . .
H33 H 0.384066 0.330791 0.229189 0.024 Uiso 1 1 calc R U . . .
C34 C 0.2530(2) 0.24824(16) 0.23233(15) 0.0243(4) Uani 1 1 d . . . . .
H34 H 0.217083 0.281627 0.192731 0.029 Uiso 1 1 calc R U . . .
C35 C 0.2060(2) 0.17049(16) 0.26833(15) 0.0243(4) Uani 1 1 d . . . . .
H35 H 0.138124 0.150608 0.253152 0.029 Uiso 1 1 calc R U . . .
C36 C 0.2577(2) 0.12163(16) 0.32644(14) 0.0224(4) Uani 1 1 d . . . . .
H36 H 0.224974 0.068577 0.351193 0.027 Uiso 1 1 calc R U . . .
C37 C 0.35775(19) 0.15033(14) 0.34855(13) 0.0182(4) Uani 1 1 d . . . . .
H37 H 0.393130 0.116853 0.388359 0.022 Uiso 1 1 calc R U . . .
C4 C 1.0296(2) 0.27216(17) 0.09809(14) 0.0242(4) Uani 1 1 d . . . . .
H4 H 1.088700 0.313617 0.090521 0.029 Uiso 1 1 calc R U . . .
C5 C 1.0620(2) 0.18303(17) 0.08900(14) 0.0237(4) Uani 1 1 d . . . . .
H5 H 1.143286 0.163397 0.075905 0.028 Uiso 1 1 calc R U . . .
C6 C 0.9758(2) 0.12252(16) 0.09904(14) 0.0235(4) Uani 1 1 d . . . . .
H6 H 0.998119 0.061471 0.092596 0.028 Uiso 1 1 calc R U . . .
C7 C 0.85642(19) 0.15090(14) 0.11855(13) 0.0192(4) Uani 1 1 d . . . . .
H7 H 0.797544 0.109306 0.125331 0.023 Uiso 1 1 calc R U . . .
C8 C 0.57735(17) 0.20908(13) 0.12591(12) 0.0143(3) Uani 1 1 d . . . . .
C9 C 0.55573(19) 0.12438(14) 0.16176(12) 0.0177(4) Uani 1 1 d . . . . .
H9 H 0.589476 0.103183 0.206466 0.021 Uiso 1 1 calc R U . . .
C10 C 0.4849(2) 0.07069(14) 0.13244(14) 0.0215(4) Uani 1 1 d . . . . .
H10 H 0.470927 0.012863 0.156858 0.026 Uiso 1 1 calc R U . . .
C11 C 0.4348(2) 0.10187(16) 0.06735(14) 0.0228(4) Uani 1 1 d . . . . .
H11 H 0.386842 0.065267 0.047046 0.027 Uiso 1 1 calc R U . . .
C12 C 0.4550(2) 0.18630(16) 0.03221(13) 0.0226(4) Uani 1 1 d . . . . .
H12 H 0.420016 0.207731 -0.011939 0.027 Uiso 1 1 calc R U . . .
C13 C 0.52612(19) 0.24005(14) 0.06108(12) 0.0186(4) Uani 1 1 d . . . . .
H13 H 0.539735 0.297889 0.036552 0.022 Uiso 1 1 calc R U . . .
C14 C 0.64845(18) 0.38818(13) 0.12270(12) 0.0160(3) Uani 1 1 d . . . . .
C15 C 0.6968(2) 0.41165(15) 0.04476(13) 0.0215(4) Uani 1 1 d . . . . .
H15 H 0.742382 0.368515 0.013922 0.026 Uiso 1 1 calc R U . . .
C16 C 0.6777(2) 0.49822(16) 0.01296(15) 0.0281(5) Uani 1 1 d . . . . .
H16 H 0.710689 0.514352 -0.039729 0.034 Uiso 1 1 calc R U . . .
C17 C 0.6107(3) 0.56137(16) 0.05763(17) 0.0300(5) Uani 1 1 d . . . . .
H17 H 0.598618 0.620592 0.035474 0.036 Uiso 1 1 calc R U . . .
C18 C 0.5616(2) 0.53859(15) 0.13420(16) 0.0272(5) Uani 1 1 d . . . . .
H18 H 0.515101 0.581817 0.164503 0.033 Uiso 1 1 calc R U . . .
C19 C 0.5806(2) 0.45172(14) 0.16675(13) 0.0206(4) Uani 1 1 d . . . . .
H19 H 0.546881 0.435917 0.219372 0.025 Uiso 1 1 calc R U . . .
C20 C 0.57280(18) 0.19549(14) 0.41982(12) 0.0156(3) Uani 1 1 d . . . . .
C21 C 0.6239(2) 0.10916(15) 0.41147(13) 0.0208(4) Uani 1 1 d . . . . .
H21 H 0.641928 0.087622 0.361286 0.025 Uiso 1 1 calc R U . . .
C22 C 0.6487(2) 0.05426(16) 0.47632(14) 0.0250(4) Uani 1 1 d . . . . .
H22 H 0.682923 -0.004605 0.470488 0.030 Uiso 1 1 calc R U . . .
C23 C 0.6228(2) 0.08641(17) 0.54955(14) 0.0254(4) Uani 1 1 d . . . . .
H23 H 0.640417 0.049594 0.593797 0.031 Uiso 1 1 calc R U . . .
C24 C 0.5715(2) 0.17165(18) 0.55829(14) 0.0270(5) Uani 1 1 d . . . . .
H24 H 0.553864 0.193074 0.608523 0.032 Uiso 1 1 calc R U . . .
C25 C 0.5456(2) 0.22608(15) 0.49396(13) 0.0210(4) Uani 1 1 d . . . . .
H25 H 0.509379 0.284300 0.500419 0.025 Uiso 1 1 calc R U . . .
C26 C 0.49931(19) 0.37562(13) 0.36769(12) 0.0169(4) Uani 1 1 d . . . . .
C27 C 0.5885(2) 0.43309(16) 0.36596(14) 0.0238(4) Uani 1 1 d . . . . .
H27 H 0.669028 0.413480 0.349613 0.029 Uiso 1 1 calc R U . . .
C28 C 0.5594(3) 0.51871(17) 0.38812(16) 0.0323(6) Uani 1 1 d . . . . .
H28 H 0.619982 0.557680 0.387127 0.039 Uiso 1 1 calc R U . . .
C29 C 0.4420(3) 0.54744(17) 0.41171(17) 0.0352(6) Uani 1 1 d . . . . .
H29 H 0.422207 0.606703 0.425387 0.042 Uiso 1 1 calc R U . . .
O1_1 O 0.10929(13) 0.19961(10) 0.77865(9) 0.0175(3) Uani 1 1 d D U . A 1
C1_1 C 0.22487(17) 0.17609(14) 0.77832(12) 0.0163(3) Uani 1 1 d D U . A 1
C2_1 C 0.2693(2) 0.09984(15) 0.72440(14) 0.0225(4) Uani 1 1 d D U . A 1
F1_1 F 0.19146(16) 0.03839(11) 0.73423(11) 0.0373(4) Uani 1 1 d D U . A 1
F2_1 F 0.37313(14) 0.05953(11) 0.73735(10) 0.0319(3) Uani 1 1 d D U . A 1
F3_1 F 0.28402(15) 0.13086(12) 0.64983(9) 0.0331(3) Uani 1 1 d D U . A 1
C3_1 C 0.30092(19) 0.25670(16) 0.75032(16) 0.0267(5) Uani 1 1 d D U . A 1
F4_1 F 0.28681(16) 0.31372(12) 0.80492(14) 0.0481(5) Uani 1 1 d D U . A 1
F5_1 F 0.26857(15) 0.29957(12) 0.68695(12) 0.0412(4) Uani 1 1 d D U . A 1
F6_1 F 0.41668(12) 0.23341(12) 0.73370(11) 0.0348(4) Uani 1 1 d D U . A 1
C4_1 C 0.2386(2) 0.14215(18) 0.86343(14) 0.0252(4) Uani 1 1 d D U . A 1
F7_1 F 0.17915(15) 0.19671(14) 0.91334(10) 0.0386(4) Uani 1 1 d D U . A 1
F8_1 F 0.35144(14) 0.13452(14) 0.87391(10) 0.0372(4) Uani 1 1 d D U . A 1
F9_1 F 0.19645(16) 0.06237(12) 0.88281(10) 0.0362(4) Uani 1 1 d D U . A 1
O1_2 O -0.13308(12) 0.23089(10) 0.78228(9) 0.0153(3) Uani 1 1 d D U . B 1
C1_2 C -0.20016(17) 0.16898(13) 0.82433(12) 0.0155(3) Uani 1 1 d D U . B 1
C2_2 C -0.33205(19) 0.20444(16) 0.82847(15) 0.0241(4) Uani 1 1 d D U . B 1
F1_2 F -0.36059(13) 0.26814(10) 0.87767(10) 0.0304(3) Uani 1 1 d D U . B 1
F2_2 F -0.40631(13) 0.14047(11) 0.85260(11) 0.0352(4) Uani 1 1 d D U . B 1
F3_2 F -0.35187(13) 0.23959(12) 0.75919(11) 0.0355(4) Uani 1 1 d D U . B 1
C3_2 C -0.1805(2) 0.07897(15) 0.78611(14) 0.0219(4) Uani 1 1 d D U . B 1
F4_2 F -0.06640(13) 0.06002(9) 0.76063(9) 0.0274(3) Uani 1 1 d D U . B 1
F5_2 F -0.23692(16) 0.08335(12) 0.72538(10) 0.0354(4) Uani 1 1 d D U . B 1
F6_2 F -0.21990(14) 0.01072(9) 0.83559(10) 0.0300(3) Uani 1 1 d D U . B 1
C4_2 C -0.1706(2) 0.15313(14) 0.90836(13) 0.0205(4) Uani 1 1 d D U . B 1
F7_2 F -0.06943(13) 0.10315(10) 0.90886(9) 0.0260(3) Uani 1 1 d D U . B 1
F8_2 F -0.25431(15) 0.11227(11) 0.95858(9) 0.0318(3) Uani 1 1 d D U . B 1
F9_2 F -0.15752(16) 0.22999(10) 0.93537(9) 0.0308(3) Uani 1 1 d D U . B 1
O1_3 O 0.00811(14) 0.36825(10) 0.71965(10) 0.0214(3) Uani 1 1 d D U . C 1
C1_3 C -0.0315(2) 0.44469(14) 0.75135(16) 0.0246(4) Uani 1 1 d D U . C 1
C2_3 C -0.1699(2) 0.45168(16) 0.77469(19) 0.0319(5) Uani 1 1 d D U . C 1
F1_3 F -0.21931(15) 0.41921(12) 0.72207(12) 0.0395(4) Uani 1 1 d D U . C 1
F2_3 F -0.21386(16) 0.53620(11) 0.78139(16) 0.0525(6) Uani 1 1 d D U . C 1
F3_3 F -0.20397(15) 0.40658(10) 0.84290(11) 0.0351(4) Uani 1 1 d D U . C 1
C3_3 C 0.0227(3) 0.45270(18) 0.82532(19) 0.0357(6) Uani 1 1 d D U . C 1
F4_3 F 0.13451(16) 0.47451(13) 0.80641(14) 0.0489(5) Uani 1 1 d D U . C 1
F5_3 F 0.02252(18) 0.37612(12) 0.86866(11) 0.0408(4) Uani 1 1 d D U . C 1
F6_3 F -0.03704(19) 0.51522(13) 0.86985(14) 0.0501(5) Uani 1 1 d D U . C 1
C4_3 C 0.0056(3) 0.52221(17) 0.6891(2) 0.0405(7) Uani 1 1 d D U . C 1
F7_3 F 0.11715(18) 0.50738(12) 0.65420(14) 0.0504(5) Uani 1 1 d D U . C 1
F8_3 F -0.00219(19) 0.60068(11) 0.72005(16) 0.0548(6) Uani 1 1 d D U . C 1
F9_3 F -0.0625(2) 0.53049(14) 0.63481(14) 0.0560(6) Uani 1 1 d D U . C 1
O1_4 O 0.0268(2) 0.21469(15) 0.63768(11) 0.0209(3) Uani 0.9702(19) 1 d D U P A
1
C1_4 C 0.0120(2) 0.22390(17) 0.56248(14) 0.0222(4) Uani 0.9702(19) 1 d D U P A
1
C2_4 C -0.1015(3) 0.2834(2) 0.55006(17) 0.0355(6) Uani 0.9702(19) 1 d D U P A 1
F1_4 F -0.19044(16) 0.26473(16) 0.60774(11) 0.0452(5) Uani 0.9702(19) 1 d D U P
A 1
F2_4 F -0.1365(2) 0.27282(18) 0.48293(12) 0.0511(6) Uani 0.9702(19) 1 d D U P A
1
F3_4 F -0.0839(2) 0.36910(14) 0.54995(13) 0.0498(5) Uani 0.9702(19) 1 d D U P A
1
C3_4 C 0.1219(2) 0.26534(19) 0.51204(15) 0.0294(5) Uani 0.9702(19) 1 d D U P A
1
F4_4 F 0.21668(15) 0.20724(13) 0.50794(10) 0.0345(4) Uani 0.9702(19) 1 d D U P
A 1
F5_4 F 0.1482(2) 0.33585(13) 0.54300(12) 0.0434(5) Uani 0.9702(19) 1 d D U P A
1
F6_4 F 0.1062(3) 0.29035(18) 0.43881(11) 0.0397(5) Uani 0.9702(19) 1 d D U P A
1
C4_4 C 0.0022(2) 0.12909(19) 0.53762(16) 0.0283(5) Uani 0.9702(19) 1 d D U P A
1
F7_4 F 0.08258(17) 0.07110(12) 0.56373(11) 0.0363(4) Uani 0.9702(19) 1 d D U P
A 1
F8_4 F 0.01710(19) 0.12682(16) 0.46039(11) 0.0393(5) Uani 0.9702(19) 1 d D U P
A 1
F9_4 F -0.10356(17) 0.09991(14) 0.56752(12) 0.0426(5) Uani 0.9702(19) 1 d D U P
A 1
O1_5 O 0.027(5) 0.222(4) 0.639(2) 0.025(4) Uani 0.0298(19) 1 d D U P A 2
C1_5 C 0.012(2) 0.2311(18) 0.564(2) 0.026(3) Uani 0.0298(19) 1 d D U P A 2
C2_5 C 0.109(3) 0.288(2) 0.514(2) 0.027(3) Uani 0.0298(19) 1 d D U P A 2
F1_5 F 0.087(4) 0.374(2) 0.526(3) 0.027(4) Uani 0.0298(19) 1 d D U P A 2
F2_5 F 0.114(6) 0.281(4) 0.438(2) 0.028(5) Uani 0.0298(19) 1 d D U P A 2
F3_5 F 0.216(3) 0.262(3) 0.530(3) 0.026(4) Uani 0.0298(19) 1 d D U P A 2
C3_5 C 0.025(3) 0.1374(19) 0.532(2) 0.027(3) Uani 0.0298(19) 1 d D U P A 2
F4_5 F -0.035(4) 0.080(2) 0.582(2) 0.028(4) Uani 0.0298(19) 1 d D U P A 2
F5_5 F 0.139(3) 0.108(3) 0.520(2) 0.026(4) Uani 0.0298(19) 1 d D U P A 2
F6_5 F -0.015(4) 0.139(3) 0.465(2) 0.028(4) Uani 0.0298(19) 1 d D U P A 2
C4_5 C -0.114(2) 0.274(2) 0.557(2) 0.028(3) Uani 0.0298(19) 1 d D U P A 2
F7_5 F -0.196(3) 0.215(3) 0.578(3) 0.030(4) Uani 0.0298(19) 1 d D U P A 2
F8_5 F -0.120(4) 0.307(3) 0.484(2) 0.026(4) Uani 0.0298(19) 1 d D U P A 2
F9_5 F -0.146(3) 0.340(2) 0.603(2) 0.028(4) Uani 0.0298(19) 1 d D U P A 2


loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
In1 C1 2.256(2) . ?
P1 C1 1.691(2) . ?
P1 C2 1.815(2) . ?
P1 C8 1.816(2) . ?
P1 C14 1.817(2) . ?
P2 C1 1.695(2) . ?
P2 C32 1.808(2) . ?
P2 C20 1.813(2) . ?
P2 C26 1.818(2) . ?
Al4 O1_5 1.65(4) . ?
Al4 O1_4 1.721(2) . ?
Al4 O1_2 1.7246(17) . ?
Al4 O1_3 1.7298(17) . ?
Al4 O1_1 1.7306(17) . ?
C2 C3 1.396(3) . ?
C2 C7 1.399(3) . ?
C3 C4 1.391(3) . ?
C3 H3 0.9500 . ?
C30 C29 1.383(4) . ?
C30 C31 1.392(3) . ?
C30 H30 0.9500 . ?
C31 C26 1.393(3) . ?
C31 H31 0.9500 . ?
C32 C37 1.399(3) . ?
C32 C33 1.400(3) . ?
C33 C34 1.385(3) . ?
C33 H33 0.9500 . ?
C34 C35 1.386(4) . ?
C34 H34 0.9500 . ?
C35 C36 1.387(4) . ?
C35 H35 0.9500 . ?
C36 C37 1.394(3) . ?
C36 H36 0.9500 . ?
C37 H37 0.9500 . ?
C4 C5 1.386(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.387(4) . ?
C5 H5 0.9500 . ?
C6 C7 1.395(3) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 C13 1.392(3) . ?
C8 C9 1.394(3) . ?
C9 C10 1.392(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.390(3) . ?
C10 H10 0.9500 . ?
C11 C12 1.383(3) . ?
C11 H11 0.9500 . ?
C12 C13 1.392(3) . ?
C12 H12 0.9500 . ?
C13 H13 0.9500 . ?
C14 C19 1.390(3) . ?
C14 C15 1.403(3) . ?
C15 C16 1.387(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.388(4) . ?
C16 H16 0.9500 . ?
C17 C18 1.382(4) . ?
C17 H17 0.9500 . ?
C18 C19 1.396(3) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 C21 1.396(3) . ?
C20 C25 1.396(3) . ?
C21 C22 1.395(3) . ?
C21 H21 0.9500 . ?
C22 C23 1.391(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.382(4) . ?
C23 H23 0.9500 . ?
C24 C25 1.388(3) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C26 C27 1.398(3) . ?
C27 C28 1.387(3) . ?
C27 H27 0.9500 . ?
C28 C29 1.385(5) . ?
C28 H28 0.9500 . ?
C29 H29 0.9500 . ?
O1_1 C1_1 1.345(2) . ?
C1_1 C3_1 1.554(3) . ?
C1_1 C4_1 1.558(3) . ?
C1_1 C2_1 1.558(3) . ?
C2_1 F1_1 1.327(3) . ?
C2_1 F3_1 1.330(3) . ?
C2_1 F2_1 1.338(3) . ?
C3_1 F5_1 1.324(3) . ?
C3_1 F4_1 1.331(3) . ?
C3_1 F6_1 1.335(3) . ?
C4_1 F7_1 1.321(3) . ?
C4_1 F9_1 1.332(3) . ?
C4_1 F8_1 1.337(3) . ?
O1_2 C1_2 1.344(2) . ?
C1_2 C2_2 1.556(3) . ?
C1_2 C4_2 1.560(3) . ?
C1_2 C3_2 1.560(3) . ?
C2_2 F3_2 1.325(3) . ?
C2_2 F2_2 1.336(3) . ?
C2_2 F1_2 1.338(3) . ?
C3_2 F4_2 1.325(3) . ?
C3_2 F5_2 1.334(3) . ?
C3_2 F6_2 1.338(3) . ?
C4_2 F9_2 1.330(3) . ?
C4_2 F7_2 1.331(3) . ?
C4_2 F8_2 1.335(3) . ?
O1_3 C1_3 1.342(3) . ?
C1_3 C3_3 1.554(4) . ?
C1_3 C4_3 1.556(4) . ?
C1_3 C2_3 1.568(3) . ?
C2_3 F1_3 1.320(3) . ?
C2_3 F3_3 1.329(3) . ?
C2_3 F2_3 1.343(3) . ?
C3_3 F5_3 1.322(4) . ?
C3_3 F4_3 1.332(3) . ?
C3_3 F6_3 1.349(3) . ?
C4_3 F9_3 1.325(4) . ?
C4_3 F7_3 1.329(4) . ?
C4_3 F8_3 1.345(3) . ?
O1_4 C1_4 1.350(3) . ?
C1_4 C3_4 1.552(4) . ?
C1_4 C2_4 1.555(3) . ?
C1_4 C4_4 1.561(4) . ?
C2_4 F3_4 1.332(4) . ?
C2_4 F1_4 1.332(4) . ?
C2_4 F2_4 1.337(3) . ?
C3_4 F5_4 1.326(3) . ?
C3_4 F4_4 1.335(3) . ?
C3_4 F6_4 1.340(3) . ?
C4_4 F7_4 1.327(3) . ?
C4_4 F9_4 1.332(3) . ?
C4_4 F8_4 1.336(3) . ?
O1_5 C1_5 1.345(15) . ?
C1_5 C4_5 1.556(13) . ?
C1_5 C2_5 1.556(13) . ?
C1_5 C3_5 1.560(13) . ?
C2_5 F1_5 1.330(13) . ?
C2_5 F3_5 1.334(14) . ?
C2_5 F2_5 1.336(14) . ?
C3_5 F4_5 1.327(14) . ?
C3_5 F6_5 1.330(14) . ?
C3_5 F5_5 1.330(13) . ?
C4_5 F9_5 1.329(14) . ?
C4_5 F8_5 1.333(14) . ?
C4_5 F7_5 1.336(14) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 P1 C2 104.64(9) . . ?
C1 P1 C8 114.75(10) . . ?
C2 P1 C8 107.24(9) . . ?
C1 P1 C14 118.81(10) . . ?
C2 P1 C14 104.78(10) . . ?
C8 P1 C14 105.67(9) . . ?
C1 P2 C32 116.32(10) . . ?
C1 P2 C20 107.89(10) . . ?
C32 P2 C20 106.54(10) . . ?
C1 P2 C26 114.51(10) . . ?
C32 P2 C26 105.26(10) . . ?
C20 P2 C26 105.56(10) . . ?
O1_4 Al4 O1_2 112.92(10) . . ?
O1_4 Al4 O1_3 109.98(10) . . ?
O1_2 Al4 O1_3 106.76(8) . . ?
O1_4 Al4 O1_1 107.32(10) . . ?
O1_2 Al4 O1_1 106.97(8) . . ?
O1_3 Al4 O1_1 112.95(8) . . ?
P1 C1 P2 129.13(12) . . ?
P1 C1 In1 112.17(10) . . ?
P2 C1 In1 118.36(10) . . ?
C3 C2 C7 119.64(19) . . ?
C3 C2 P1 119.93(16) . . ?
C7 C2 P1 119.84(16) . . ?
C4 C3 C2 119.9(2) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C29 C30 C31 119.9(3) . . ?
C29 C30 H30 120.1 . . ?
C31 C30 H30 120.1 . . ?
C30 C31 C26 120.1(2) . . ?
C30 C31 H31 120.0 . . ?
C26 C31 H31 120.0 . . ?
C37 C32 C33 119.32(19) . . ?
C37 C32 P2 121.66(16) . . ?
C33 C32 P2 118.95(16) . . ?
C34 C33 C32 120.3(2) . . ?
C34 C33 H33 119.9 . . ?
C32 C33 H33 119.9 . . ?
C33 C34 C35 120.2(2) . . ?
C33 C34 H34 119.9 . . ?
C35 C34 H34 119.9 . . ?
C34 C35 C36 120.2(2) . . ?
C34 C35 H35 119.9 . . ?
C36 C35 H35 119.9 . . ?
C35 C36 C37 120.1(2) . . ?
C35 C36 H36 120.0 . . ?
C37 C36 H36 120.0 . . ?
C36 C37 C32 120.0(2) . . ?
C36 C37 H37 120.0 . . ?
C32 C37 H37 120.0 . . ?
C5 C4 C3 120.4(2) . . ?
C5 C4 H4 119.8 . . ?
C3 C4 H4 119.8 . . ?
C4 C5 C6 119.9(2) . . ?
C4 C5 H5 120.0 . . ?
C6 C5 H5 120.0 . . ?
C5 C6 C7 120.3(2) . . ?
C5 C6 H6 119.8 . . ?
C7 C6 H6 119.8 . . ?
C6 C7 C2 119.8(2) . . ?
C6 C7 H7 120.1 . . ?
C2 C7 H7 120.1 . . ?
C13 C8 C9 119.38(18) . . ?
C13 C8 P1 122.38(16) . . ?
C9 C8 P1 118.23(15) . . ?
C10 C9 C8 120.38(19) . . ?
C10 C9 H9 119.8 . . ?
C8 C9 H9 119.8 . . ?
C11 C10 C9 119.9(2) . . ?
C11 C10 H10 120.1 . . ?
C9 C10 H10 120.1 . . ?
C12 C11 C10 119.9(2) . . ?
C12 C11 H11 120.1 . . ?
C10 C11 H11 120.1 . . ?
C11 C12 C13 120.5(2) . . ?
C11 C12 H12 119.8 . . ?
C13 C12 H12 119.8 . . ?
C12 C13 C8 120.0(2) . . ?
C12 C13 H13 120.0 . . ?
C8 C13 H13 120.0 . . ?
C19 C14 C15 119.51(19) . . ?
C19 C14 P1 119.42(16) . . ?
C15 C14 P1 121.06(16) . . ?
C16 C15 C14 119.6(2) . . ?
C16 C15 H15 120.2 . . ?
C14 C15 H15 120.2 . . ?
C15 C16 C17 120.4(2) . . ?
C15 C16 H16 119.8 . . ?
C17 C16 H16 119.8 . . ?
C18 C17 C16 120.4(2) . . ?
C18 C17 H17 119.8 . . ?
C16 C17 H17 119.8 . . ?
C17 C18 C19 119.6(2) . . ?
C17 C18 H18 120.2 . . ?
C19 C18 H18 120.2 . . ?
C14 C19 C18 120.4(2) . . ?
C14 C19 H19 119.8 . . ?
C18 C19 H19 119.8 . . ?
C21 C20 C25 119.23(19) . . ?
C21 C20 P2 119.66(16) . . ?
C25 C20 P2 121.10(16) . . ?
C22 C21 C20 120.5(2) . . ?
C22 C21 H21 119.8 . . ?
C20 C21 H21 119.8 . . ?
C23 C22 C21 119.5(2) . . ?
C23 C22 H22 120.3 . . ?
C21 C22 H22 120.3 . . ?
C24 C23 C22 120.4(2) . . ?
C24 C23 H23 119.8 . . ?
C22 C23 H23 119.8 . . ?
C23 C24 C25 120.3(2) . . ?
C23 C24 H24 119.9 . . ?
C25 C24 H24 119.9 . . ?
C24 C25 C20 120.2(2) . . ?
C24 C25 H25 119.9 . . ?
C20 C25 H25 119.9 . . ?
C31 C26 C27 119.6(2) . . ?
C31 C26 P2 121.60(16) . . ?
C27 C26 P2 118.82(17) . . ?
C28 C27 C26 120.0(2) . . ?
C28 C27 H27 120.0 . . ?
C26 C27 H27 120.0 . . ?
C29 C28 C27 120.0(2) . . ?
C29 C28 H28 120.0 . . ?
C27 C28 H28 120.0 . . ?
C30 C29 C28 120.4(2) . . ?
C30 C29 H29 119.8 . . ?
C28 C29 H29 119.8 . . ?
C1_1 O1_1 Al4 146.91(15) . . ?
O1_1 C1_1 C3_1 110.97(17) . . ?
O1_1 C1_1 C4_1 107.14(17) . . ?
C3_1 C1_1 C4_1 109.77(18) . . ?
O1_1 C1_1 C2_1 111.10(17) . . ?
C3_1 C1_1 C2_1 108.91(18) . . ?
C4_1 C1_1 C2_1 108.92(18) . . ?
F1_1 C2_1 F3_1 107.3(2) . . ?
F1_1 C2_1 F2_1 107.8(2) . . ?
F3_1 C2_1 F2_1 107.00(19) . . ?
F1_1 C2_1 C1_1 110.94(19) . . ?
F3_1 C2_1 C1_1 110.93(19) . . ?
F2_1 C2_1 C1_1 112.64(18) . . ?
F5_1 C3_1 F4_1 107.9(2) . . ?
F5_1 C3_1 F6_1 107.7(2) . . ?
F4_1 C3_1 F6_1 106.9(2) . . ?
F5_1 C3_1 C1_1 110.33(19) . . ?
F4_1 C3_1 C1_1 110.7(2) . . ?
F6_1 C3_1 C1_1 113.13(19) . . ?
F7_1 C4_1 F9_1 107.4(2) . . ?
F7_1 C4_1 F8_1 107.7(2) . . ?
F9_1 C4_1 F8_1 107.2(2) . . ?
F7_1 C4_1 C1_1 110.9(2) . . ?
F9_1 C4_1 C1_1 110.89(19) . . ?
F8_1 C4_1 C1_1 112.56(19) . . ?
C1_2 O1_2 Al4 146.68(14) . . ?
O1_2 C1_2 C2_2 107.66(17) . . ?
O1_2 C1_2 C4_2 110.15(17) . . ?
C2_2 C1_2 C4_2 109.39(17) . . ?
O1_2 C1_2 C3_2 111.55(17) . . ?
C2_2 C1_2 C3_2 109.04(17) . . ?
C4_2 C1_2 C3_2 109.01(17) . . ?
F3_2 C2_2 F2_2 108.0(2) . . ?
F3_2 C2_2 F1_2 107.3(2) . . ?
F2_2 C2_2 F1_2 107.37(19) . . ?
F3_2 C2_2 C1_2 110.57(19) . . ?
F2_2 C2_2 C1_2 112.26(19) . . ?
F1_2 C2_2 C1_2 111.11(19) . . ?
F4_2 C3_2 F5_2 107.8(2) . . ?
F4_2 C3_2 F6_2 107.56(19) . . ?
F5_2 C3_2 F6_2 107.53(18) . . ?
F4_2 C3_2 C1_2 110.63(17) . . ?
F5_2 C3_2 C1_2 110.53(19) . . ?
F6_2 C3_2 C1_2 112.59(18) . . ?
F9_2 C4_2 F7_2 107.40(19) . . ?
F9_2 C4_2 F8_2 107.78(19) . . ?
F7_2 C4_2 F8_2 107.37(18) . . ?
F9_2 C4_2 C1_2 110.52(17) . . ?
F7_2 C4_2 C1_2 110.77(17) . . ?
F8_2 C4_2 C1_2 112.78(19) . . ?
C1_3 O1_3 Al4 146.11(16) . . ?
O1_3 C1_3 C3_3 111.0(2) . . ?
O1_3 C1_3 C4_3 107.4(2) . . ?
C3_3 C1_3 C4_3 109.8(2) . . ?
O1_3 C1_3 C2_3 111.46(19) . . ?
C3_3 C1_3 C2_3 108.3(2) . . ?
C4_3 C1_3 C2_3 108.9(2) . . ?
F1_3 C2_3 F3_3 108.0(2) . . ?
F1_3 C2_3 F2_3 107.9(2) . . ?
F3_3 C2_3 F2_3 107.0(2) . . ?
F1_3 C2_3 C1_3 110.7(2) . . ?
F3_3 C2_3 C1_3 111.2(2) . . ?
F2_3 C2_3 C1_3 111.9(2) . . ?
F5_3 C3_3 F4_3 107.7(2) . . ?
F5_3 C3_3 F6_3 107.8(3) . . ?
F4_3 C3_3 F6_3 107.1(2) . . ?
F5_3 C3_3 C1_3 110.5(2) . . ?
F4_3 C3_3 C1_3 111.0(3) . . ?
F6_3 C3_3 C1_3 112.5(2) . . ?
F9_3 C4_3 F7_3 107.9(3) . . ?
F9_3 C4_3 F8_3 107.8(2) . . ?
F7_3 C4_3 F8_3 107.2(2) . . ?
F9_3 C4_3 C1_3 110.6(2) . . ?
F7_3 C4_3 C1_3 110.8(2) . . ?
F8_3 C4_3 C1_3 112.3(3) . . ?
C1_4 O1_4 Al4 150.34(19) . . ?
O1_4 C1_4 C3_4 108.9(2) . . ?
O1_4 C1_4 C2_4 112.3(2) . . ?
C3_4 C1_4 C2_4 109.4(2) . . ?
O1_4 C1_4 C4_4 107.5(2) . . ?
C3_4 C1_4 C4_4 109.5(2) . . ?
C2_4 C1_4 C4_4 109.2(2) . . ?
F3_4 C2_4 F1_4 107.4(3) . . ?
F3_4 C2_4 F2_4 107.3(3) . . ?
F1_4 C2_4 F2_4 107.9(3) . . ?
F3_4 C2_4 C1_4 110.8(3) . . ?
F1_4 C2_4 C1_4 110.2(2) . . ?
F2_4 C2_4 C1_4 112.9(2) . . ?
F5_4 C3_4 F4_4 107.2(2) . . ?
F5_4 C3_4 F6_4 108.2(2) . . ?
F4_4 C3_4 F6_4 107.0(2) . . ?
F5_4 C3_4 C1_4 110.6(2) . . ?
F4_4 C3_4 C1_4 110.8(2) . . ?
F6_4 C3_4 C1_4 112.7(2) . . ?
F7_4 C4_4 F9_4 107.0(2) . . ?
F7_4 C4_4 F8_4 107.6(2) . . ?
F9_4 C4_4 F8_4 107.6(2) . . ?
F7_4 C4_4 C1_4 110.9(2) . . ?
F9_4 C4_4 C1_4 110.6(2) . . ?
F8_4 C4_4 C1_4 112.7(2) . . ?
C1_5 O1_5 Al4 153(4) . . ?
O1_5 C1_5 C4_5 110(2) . . ?
O1_5 C1_5 C2_5 109.8(19) . . ?
C4_5 C1_5 C2_5 111.0(15) . . ?
O1_5 C1_5 C3_5 109(2) . . ?
C4_5 C1_5 C3_5 108.2(15) . . ?
C2_5 C1_5 C3_5 108.1(15) . . ?
F1_5 C2_5 F3_5 108(2) . . ?
F1_5 C2_5 F2_5 108(2) . . ?
F3_5 C2_5 F2_5 106(2) . . ?
F1_5 C2_5 C1_5 111.3(18) . . ?
F3_5 C2_5 C1_5 112.1(18) . . ?
F2_5 C2_5 C1_5 111(2) . . ?
F4_5 C3_5 F6_5 107(2) . . ?
F4_5 C3_5 F5_5 109(2) . . ?
F6_5 C3_5 F5_5 108(2) . . ?
F4_5 C3_5 C1_5 111.0(18) . . ?
F6_5 C3_5 C1_5 111.9(19) . . ?
F5_5 C3_5 C1_5 109.6(17) . . ?
F9_5 C4_5 F8_5 107(2) . . ?
F9_5 C4_5 F7_5 106.6(19) . . ?
F8_5 C4_5 F7_5 108(2) . . ?
F9_5 C4_5 C1_5 111.9(18) . . ?
F8_5 C4_5 C1_5 111.1(18) . . ?
F7_5 C4_5 C1_5 111.6(18) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C2 P1 C1 P2 -171.28(14) . . . . ?
C8 P1 C1 P2 -54.05(18) . . . . ?
C14 P1 C1 P2 72.32(18) . . . . ?
C2 P1 C1 In1 1.75(12) . . . . ?
C8 P1 C1 In1 118.98(11) . . . . ?
C14 P1 C1 In1 -114.65(11) . . . . ?
C32 P2 C1 P1 35.24(19) . . . . ?
C20 P2 C1 P1 154.81(14) . . . . ?
C26 P2 C1 P1 -88.01(17) . . . . ?
C32 P2 C1 In1 -137.42(11) . . . . ?
C20 P2 C1 In1 -17.86(14) . . . . ?
C26 P2 C1 In1 99.33(12) . . . . ?
C1 P1 C2 C3 -87.10(18) . . . . ?
C8 P1 C2 C3 150.62(17) . . . . ?
C14 P1 C2 C3 38.63(19) . . . . ?
C1 P1 C2 C7 84.06(18) . . . . ?
C8 P1 C2 C7 -38.22(19) . . . . ?
C14 P1 C2 C7 -150.20(16) . . . . ?
C7 C2 C3 C4 0.8(3) . . . . ?
P1 C2 C3 C4 171.94(17) . . . . ?
C29 C30 C31 C26 0.4(4) . . . . ?
C1 P2 C32 C37 110.15(18) . . . . ?
C20 P2 C32 C37 -10.1(2) . . . . ?
C26 P2 C32 C37 -121.91(18) . . . . ?
C1 P2 C32 C33 -66.87(19) . . . . ?
C20 P2 C32 C33 172.83(16) . . . . ?
C26 P2 C32 C33 61.06(19) . . . . ?
C37 C32 C33 C34 -0.6(3) . . . . ?
P2 C32 C33 C34 176.54(17) . . . . ?
C32 C33 C34 C35 0.2(3) . . . . ?
C33 C34 C35 C36 0.3(4) . . . . ?
C34 C35 C36 C37 -0.4(4) . . . . ?
C35 C36 C37 C32 0.0(3) . . . . ?
C33 C32 C37 C36 0.5(3) . . . . ?
P2 C32 C37 C36 -176.54(17) . . . . ?
C2 C3 C4 C5 -1.1(4) . . . . ?
C3 C4 C5 C6 0.8(4) . . . . ?
C4 C5 C6 C7 -0.2(4) . . . . ?
C5 C6 C7 C2 -0.1(3) . . . . ?
C3 C2 C7 C6 -0.2(3) . . . . ?
P1 C2 C7 C6 -171.38(17) . . . . ?
C1 P1 C8 C13 146.71(18) . . . . ?
C2 P1 C8 C13 -97.55(19) . . . . ?
C14 P1 C8 C13 13.8(2) . . . . ?
C1 P1 C8 C9 -32.8(2) . . . . ?
C2 P1 C8 C9 82.99(18) . . . . ?
C14 P1 C8 C9 -165.63(16) . . . . ?
C13 C8 C9 C10 0.9(3) . . . . ?
P1 C8 C9 C10 -179.61(17) . . . . ?
C8 C9 C10 C11 -0.4(3) . . . . ?
C9 C10 C11 C12 -0.3(4) . . . . ?
C10 C11 C12 C13 0.6(4) . . . . ?
C11 C12 C13 C8 -0.2(4) . . . . ?
C9 C8 C13 C12 -0.6(3) . . . . ?
P1 C8 C13 C12 179.94(17) . . . . ?
C1 P1 C14 C19 -25.3(2) . . . . ?
C2 P1 C14 C19 -141.58(17) . . . . ?
C8 P1 C14 C19 105.31(18) . . . . ?
C1 P1 C14 C15 155.70(17) . . . . ?
C2 P1 C14 C15 39.38(19) . . . . ?
C8 P1 C14 C15 -73.72(19) . . . . ?
C19 C14 C15 C16 0.9(3) . . . . ?
P1 C14 C15 C16 179.94(18) . . . . ?
C14 C15 C16 C17 -0.3(4) . . . . ?
C15 C16 C17 C18 -0.5(4) . . . . ?
C16 C17 C18 C19 0.6(4) . . . . ?
C15 C14 C19 C18 -0.7(3) . . . . ?
P1 C14 C19 C18 -179.79(18) . . . . ?
C17 C18 C19 C14 0.0(4) . . . . ?
C1 P2 C20 C21 -47.8(2) . . . . ?
C32 P2 C20 C21 77.80(19) . . . . ?
C26 P2 C20 C21 -170.63(17) . . . . ?
C1 P2 C20 C25 133.43(18) . . . . ?
C32 P2 C20 C25 -100.99(19) . . . . ?
C26 P2 C20 C25 10.6(2) . . . . ?
C25 C20 C21 C22 -0.6(3) . . . . ?
P2 C20 C21 C22 -179.42(18) . . . . ?
C20 C21 C22 C23 -0.4(4) . . . . ?
C21 C22 C23 C24 0.8(4) . . . . ?
C22 C23 C24 C25 -0.2(4) . . . . ?
C23 C24 C25 C20 -0.9(4) . . . . ?
C21 C20 C25 C24 1.3(3) . . . . ?
P2 C20 C25 C24 -179.93(18) . . . . ?
C30 C31 C26 C27 1.2(3) . . . . ?
C30 C31 C26 P2 -177.78(19) . . . . ?
C1 P2 C26 C31 148.30(18) . . . . ?
C32 P2 C26 C31 19.3(2) . . . . ?
C20 P2 C26 C31 -93.18(19) . . . . ?
C1 P2 C26 C27 -30.7(2) . . . . ?
C32 P2 C26 C27 -159.74(18) . . . . ?
C20 P2 C26 C27 87.79(19) . . . . ?
C31 C26 C27 C28 -1.3(3) . . . . ?
P2 C26 C27 C28 177.74(19) . . . . ?
C26 C27 C28 C29 -0.2(4) . . . . ?
C31 C30 C29 C28 -1.9(4) . . . . ?
C27 C28 C29 C30 1.8(4) . . . . ?
O1_4 Al4 O1_1 C1_1 50.9(3) . . . . ?
O1_2 Al4 O1_1 C1_1 172.3(2) . . . . ?
O1_3 Al4 O1_1 C1_1 -70.5(3) . . . . ?
Al4 O1_1 C1_1 C3_1 47.5(3) . . . . ?
Al4 O1_1 C1_1 C4_1 167.3(2) . . . . ?
Al4 O1_1 C1_1 C2_1 -73.9(3) . . . . ?
O1_1 C1_1 C2_1 F1_1 -43.1(3) . . . . ?
C3_1 C1_1 C2_1 F1_1 -165.61(19) . . . . ?
C4_1 C1_1 C2_1 F1_1 74.7(2) . . . . ?
O1_1 C1_1 C2_1 F3_1 76.0(2) . . . . ?
C3_1 C1_1 C2_1 F3_1 -46.5(2) . . . . ?
C4_1 C1_1 C2_1 F3_1 -166.20(18) . . . . ?
O1_1 C1_1 C2_1 F2_1 -164.07(19) . . . . ?
C3_1 C1_1 C2_1 F2_1 73.4(2) . . . . ?
C4_1 C1_1 C2_1 F2_1 -46.3(2) . . . . ?
O1_1 C1_1 C3_1 F5_1 -46.4(3) . . . . ?
C4_1 C1_1 C3_1 F5_1 -164.63(19) . . . . ?
C2_1 C1_1 C3_1 F5_1 76.2(2) . . . . ?
O1_1 C1_1 C3_1 F4_1 73.0(2) . . . . ?
C4_1 C1_1 C3_1 F4_1 -45.2(2) . . . . ?
C2_1 C1_1 C3_1 F4_1 -164.38(19) . . . . ?
O1_1 C1_1 C3_1 F6_1 -167.1(2) . . . . ?
C4_1 C1_1 C3_1 F6_1 74.7(3) . . . . ?
C2_1 C1_1 C3_1 F6_1 -44.5(3) . . . . ?
O1_1 C1_1 C4_1 F7_1 -46.1(2) . . . . ?
C3_1 C1_1 C4_1 F7_1 74.5(2) . . . . ?
C2_1 C1_1 C4_1 F7_1 -166.33(19) . . . . ?
O1_1 C1_1 C4_1 F9_1 73.2(2) . . . . ?
C3_1 C1_1 C4_1 F9_1 -166.23(18) . . . . ?
C2_1 C1_1 C4_1 F9_1 -47.1(2) . . . . ?
O1_1 C1_1 C4_1 F8_1 -166.76(19) . . . . ?
C3_1 C1_1 C4_1 F8_1 -46.2(3) . . . . ?
C2_1 C1_1 C4_1 F8_1 73.0(2) . . . . ?
O1_4 Al4 O1_2 C1_2 74.9(3) . . . . ?
O1_3 Al4 O1_2 C1_2 -164.1(2) . . . . ?
O1_1 Al4 O1_2 C1_2 -42.9(3) . . . . ?
Al4 O1_2 C1_2 C2_2 -160.8(2) . . . . ?
Al4 O1_2 C1_2 C4_2 80.0(3) . . . . ?
Al4 O1_2 C1_2 C3_2 -41.2(3) . . . . ?
O1_2 C1_2 C2_2 F3_2 44.4(2) . . . . ?
C4_2 C1_2 C2_2 F3_2 164.08(18) . . . . ?
C3_2 C1_2 C2_2 F3_2 -76.8(2) . . . . ?
O1_2 C1_2 C2_2 F2_2 165.10(19) . . . . ?
C4_2 C1_2 C2_2 F2_2 -75.2(2) . . . . ?
C3_2 C1_2 C2_2 F2_2 43.9(3) . . . . ?
O1_2 C1_2 C2_2 F1_2 -74.6(2) . . . . ?
C4_2 C1_2 C2_2 F1_2 45.0(2) . . . . ?
C3_2 C1_2 C2_2 F1_2 164.17(18) . . . . ?
O1_2 C1_2 C3_2 F4_2 42.7(2) . . . . ?
C2_2 C1_2 C3_2 F4_2 161.48(19) . . . . ?
C4_2 C1_2 C3_2 F4_2 -79.2(2) . . . . ?
O1_2 C1_2 C3_2 F5_2 -76.6(2) . . . . ?
C2_2 C1_2 C3_2 F5_2 42.1(2) . . . . ?
C4_2 C1_2 C3_2 F5_2 161.50(18) . . . . ?
O1_2 C1_2 C3_2 F6_2 163.09(18) . . . . ?
C2_2 C1_2 C3_2 F6_2 -78.1(2) . . . . ?
C4_2 C1_2 C3_2 F6_2 41.2(2) . . . . ?
O1_2 C1_2 C4_2 F9_2 41.8(2) . . . . ?
C2_2 C1_2 C4_2 F9_2 -76.4(2) . . . . ?
C3_2 C1_2 C4_2 F9_2 164.49(18) . . . . ?
O1_2 C1_2 C4_2 F7_2 -77.1(2) . . . . ?
C2_2 C1_2 C4_2 F7_2 164.73(17) . . . . ?
C3_2 C1_2 C4_2 F7_2 45.6(2) . . . . ?
O1_2 C1_2 C4_2 F8_2 162.52(17) . . . . ?
C2_2 C1_2 C4_2 F8_2 44.4(2) . . . . ?
C3_2 C1_2 C4_2 F8_2 -74.8(2) . . . . ?
O1_4 Al4 O1_3 C1_3 149.9(3) . . . . ?
O1_2 Al4 O1_3 C1_3 27.1(3) . . . . ?
O1_1 Al4 O1_3 C1_3 -90.2(3) . . . . ?
Al4 O1_3 C1_3 C3_3 71.7(3) . . . . ?
Al4 O1_3 C1_3 C4_3 -168.3(2) . . . . ?
Al4 O1_3 C1_3 C2_3 -49.1(4) . . . . ?
O1_3 C1_3 C2_3 F1_3 -38.7(3) . . . . ?
C3_3 C1_3 C2_3 F1_3 -161.0(2) . . . . ?
C4_3 C1_3 C2_3 F1_3 79.7(3) . . . . ?
O1_3 C1_3 C2_3 F3_3 81.4(3) . . . . ?
C3_3 C1_3 C2_3 F3_3 -41.0(3) . . . . ?
C4_3 C1_3 C2_3 F3_3 -160.3(2) . . . . ?
O1_3 C1_3 C2_3 F2_3 -159.1(2) . . . . ?
C3_3 C1_3 C2_3 F2_3 78.5(3) . . . . ?
C4_3 C1_3 C2_3 F2_3 -40.8(3) . . . . ?
O1_3 C1_3 C3_3 F5_3 -42.9(3) . . . . ?
C4_3 C1_3 C3_3 F5_3 -161.6(2) . . . . ?
C2_3 C1_3 C3_3 F5_3 79.7(3) . . . . ?
O1_3 C1_3 C3_3 F4_3 76.5(3) . . . . ?
C4_3 C1_3 C3_3 F4_3 -42.2(3) . . . . ?
C2_3 C1_3 C3_3 F4_3 -160.9(2) . . . . ?
O1_3 C1_3 C3_3 F6_3 -163.5(2) . . . . ?
C4_3 C1_3 C3_3 F6_3 77.8(3) . . . . ?
C2_3 C1_3 C3_3 F6_3 -40.9(3) . . . . ?
O1_3 C1_3 C4_3 F9_3 75.3(3) . . . . ?
C3_3 C1_3 C4_3 F9_3 -163.8(2) . . . . ?
C2_3 C1_3 C4_3 F9_3 -45.5(3) . . . . ?
O1_3 C1_3 C4_3 F7_3 -44.3(3) . . . . ?
C3_3 C1_3 C4_3 F7_3 76.6(3) . . . . ?
C2_3 C1_3 C4_3 F7_3 -165.1(3) . . . . ?
O1_3 C1_3 C4_3 F8_3 -164.1(2) . . . . ?
C3_3 C1_3 C4_3 F8_3 -43.3(3) . . . . ?
C2_3 C1_3 C4_3 F8_3 75.1(3) . . . . ?
O1_2 Al4 O1_4 C1_4 82.0(4) . . . . ?
O1_3 Al4 O1_4 C1_4 -37.2(4) . . . . ?
O1_1 Al4 O1_4 C1_4 -160.4(4) . . . . ?
Al4 O1_4 C1_4 C3_4 95.8(4) . . . . ?
Al4 O1_4 C1_4 C2_4 -25.5(5) . . . . ?
Al4 O1_4 C1_4 C4_4 -145.6(3) . . . . ?
O1_4 C1_4 C2_4 F3_4 77.8(3) . . . . ?
C3_4 C1_4 C2_4 F3_4 -43.2(3) . . . . ?
C4_4 C1_4 C2_4 F3_4 -163.0(2) . . . . ?
O1_4 C1_4 C2_4 F1_4 -41.0(3) . . . . ?
C3_4 C1_4 C2_4 F1_4 -162.0(2) . . . . ?
C4_4 C1_4 C2_4 F1_4 78.2(3) . . . . ?
O1_4 C1_4 C2_4 F2_4 -161.7(3) . . . . ?
C3_4 C1_4 C2_4 F2_4 77.3(3) . . . . ?
C4_4 C1_4 C2_4 F2_4 -42.6(3) . . . . ?
O1_4 C1_4 C3_4 F5_4 -48.3(3) . . . . ?
C2_4 C1_4 C3_4 F5_4 74.7(3) . . . . ?
C4_4 C1_4 C3_4 F5_4 -165.7(2) . . . . ?
O1_4 C1_4 C3_4 F4_4 70.5(3) . . . . ?
C2_4 C1_4 C3_4 F4_4 -166.5(2) . . . . ?
C4_4 C1_4 C3_4 F4_4 -46.9(3) . . . . ?
O1_4 C1_4 C3_4 F6_4 -169.6(2) . . . . ?
C2_4 C1_4 C3_4 F6_4 -46.6(3) . . . . ?
C4_4 C1_4 C3_4 F6_4 73.0(3) . . . . ?
O1_4 C1_4 C4_4 F7_4 -43.4(3) . . . . ?
C3_4 C1_4 C4_4 F7_4 74.8(3) . . . . ?
C2_4 C1_4 C4_4 F7_4 -165.5(2) . . . . ?
O1_4 C1_4 C4_4 F9_4 75.2(3) . . . . ?
C3_4 C1_4 C4_4 F9_4 -166.6(2) . . . . ?
C2_4 C1_4 C4_4 F9_4 -46.8(3) . . . . ?
O1_4 C1_4 C4_4 F8_4 -164.2(2) . . . . ?
C3_4 C1_4 C4_4 F8_4 -46.0(3) . . . . ?
C2_4 C1_4 C4_4 F8_4 73.7(3) . . . . ?
Al4 O1_5 C1_5 C4_5 -32(9) . . . . ?
Al4 O1_5 C1_5 C2_5 90(8) . . . . ?
Al4 O1_5 C1_5 C3_5 -151(8) . . . . ?
O1_5 C1_5 C2_5 F1_5 -75(3) . . . . ?
C4_5 C1_5 C2_5 F1_5 48(3) . . . . ?
C3_5 C1_5 C2_5 F1_5 166(3) . . . . ?
O1_5 C1_5 C2_5 F3_5 47(3) . . . . ?
C4_5 C1_5 C2_5 F3_5 169(3) . . . . ?
C3_5 C1_5 C2_5 F3_5 -73(3) . . . . ?
O1_5 C1_5 C2_5 F2_5 165(3) . . . . ?
C4_5 C1_5 C2_5 F2_5 -72(3) . . . . ?
C3_5 C1_5 C2_5 F2_5 46(3) . . . . ?
O1_5 C1_5 C3_5 F4_5 46(3) . . . . ?
C4_5 C1_5 C3_5 F4_5 -74(3) . . . . ?
C2_5 C1_5 C3_5 F4_5 165(3) . . . . ?
O1_5 C1_5 C3_5 F6_5 165(3) . . . . ?
C4_5 C1_5 C3_5 F6_5 45(3) . . . . ?
C2_5 C1_5 C3_5 F6_5 -75(3) . . . . ?
O1_5 C1_5 C3_5 F5_5 -75(3) . . . . ?
C4_5 C1_5 C3_5 F5_5 165(3) . . . . ?
C2_5 C1_5 C3_5 F5_5 45(3) . . . . ?
O1_5 C1_5 C4_5 F9_5 42(3) . . . . ?
C2_5 C1_5 C4_5 F9_5 -80(3) . . . . ?
C3_5 C1_5 C4_5 F9_5 162(3) . . . . ?
O1_5 C1_5 C4_5 F8_5 162(3) . . . . ?
C2_5 C1_5 C4_5 F8_5 40(3) . . . . ?
C3_5 C1_5 C4_5 F8_5 -79(3) . . . . ?
O1_5 C1_5 C4_5 F7_5 -78(3) . . . . ?
C2_5 C1_5 C4_5 F7_5 161(3) . . . . ?
C3_5 C1_5 C4_5 F7_5 42(3) . . . . ?

_chemical_properties_physical    
Air-sensitive,Moisture-sensitive,Oxygen-sensitive
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_P21c_a
_database_code_depnum_ccdc_archive 'CCDC 2220001'
loop_
_audit_author_name
_audit_author_address
'Antoine Barthelemy'
;Albert Ludwigs University Freiburg
Germany
;
_audit_update_record             
;
2022-11-16 deposited with the CCDC.	2022-12-20 downloaded from the CCDC.
;
_audit_creation_method           
;FinalCif V110 by Daniel Kratzert, Freiburg 2022,
https://dkratzert.de/finalcif.html
;
_shelx_SHELXL_version_number     2019/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_sum            'C106 H60 Al2 F72 Ga2 O8 P4'
_chemical_formula_moiety         'C74 H60 Ga2 P4, 2(C16 Al F36 O4)'
_chemical_formula_weight         3146.82
_chemical_melting_point          ?
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'
_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   15.9476(12)
_cell_length_b                   11.0312(8)
_cell_length_c                   33.773(3)
_cell_angle_alpha                90
_cell_angle_beta                 102.211(2)
_cell_angle_gamma                90
_cell_volume                     5807.0(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9830
_cell_measurement_theta_min      2.416
_cell_measurement_theta_max      30.5055
_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: ortho-difluorobenzene'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.800
_exptl_crystal_F_000             3112
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.21
_exptl_absorpt_coefficient_mu    0.707
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6873
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_process_details   
;SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction:
Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., J. Appl. Cryst. 48
(2015) 3-10
;
_exptl_absorpt_special_details   ?
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_special_details           ?
_diffrn_ambient_temperature      100(2)
_diffrn_ambient_environment      N~2~
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'mirror optics'
_olex2_diffrn_ambient_temperature_device 'Oxford Cryostream 800'
_diffrn_measurement_ambient_temperature_device_make ?
_diffrn_radiation_probe          x-ray
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_source_current           1.4
_diffrn_detector                 CPAD
_diffrn_detector_type            'Bruker PHOTON III'
_diffrn_detector_area_resol_mean 7.41
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE dual wavelength Mo/Cu'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_measurement_specimen_support 'MiTeGen micromount'
_diffrn_reflns_number            348234
_diffrn_reflns_av_unetI/netI     0.0097
_diffrn_reflns_av_R_equivalents  0.0279
_diffrn_reflns_theta_min         1.306
_diffrn_reflns_theta_max         30.557
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -48
_diffrn_reflns_limit_l_max       48
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             17782
_reflns_number_gt                17083
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_computing_data_collection       'Bruker BIS V6.2.14/2020-04-30'
_computing_cell_refinement       'SAINT V8.38A'
_computing_data_reduction        'SAINT V8.38A'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0359P)²+3.4736P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         17782
_refine_ls_number_parameters     1001
_refine_ls_number_restraints     4516
_refine_ls_R_factor_all          0.0292
_refine_ls_R_factor_gt           0.0282
_refine_ls_wR_factor_ref         0.0754
_refine_ls_wR_factor_gt          0.0746
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_restrained_S_all      0.988
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.699
_refine_diff_density_min         -0.409
_refine_diff_density_rms         0.054
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ga1 Ga 0.41837(2) 0.51011(2) 0.50433(2) 0.01807(3) Uani 1 1 d . . . . .
P1 P 0.36858(2) 0.70258(2) 0.43376(2) 0.01151(5) Uani 1 1 d . . . . .
C1 C 0.33250(6) 0.58567(9) 0.45907(3) 0.01233(16) Uani 1 1 d . . . . .
Al1 Al 0.21547(2) 0.67759(3) 0.17134(2) 0.01222(6) Uani 1 1 d . . . . .
P2 P 0.24559(2) 0.49626(2) 0.44001(2) 0.01149(5) Uani 1 1 d . . . . .
C1A C 0.45764(6) 0.77370(9) 0.46826(3) 0.01397(17) Uani 1 1 d . . . . .
C2A C 0.45844(7) 0.77887(10) 0.50983(3) 0.01661(18) Uani 1 1 d . . . . .
H2A H 0.412647 0.744134 0.519942 0.020 Uiso 1 1 calc R U . . .
C3A C 0.52628(7) 0.83485(11) 0.53635(3) 0.0203(2) Uani 1 1 d . . . . .
H3A H 0.527375 0.836035 0.564577 0.024 Uiso 1 1 calc R U . . .
C4A C 0.59224(7) 0.88885(11) 0.52168(4) 0.0229(2) Uani 1 1 d . . . . .
H4A H 0.639058 0.925251 0.539880 0.027 Uiso 1 1 calc R U . . .
C5A C 0.58957(7) 0.88950(12) 0.48025(4) 0.0230(2) Uani 1 1 d . . . . .
H5A H 0.633501 0.929300 0.470101 0.028 Uiso 1 1 calc R U . . .
C6A C 0.52286(7) 0.83214(11) 0.45356(3) 0.01908(19) Uani 1 1 d . . . . .
H6A H 0.521582 0.832637 0.425306 0.023 Uiso 1 1 calc R U . . .
C1B C 0.40570(6) 0.65807(9) 0.38891(3) 0.01455(17) Uani 1 1 d . . . . .
C2B C 0.34824(7) 0.65180(10) 0.35134(3) 0.01715(18) Uani 1 1 d . . . . .
H2B H 0.291682 0.682699 0.348530 0.021 Uiso 1 1 calc R U . . .
C3B C 0.37363(7) 0.60057(12) 0.31818(3) 0.0216(2) Uani 1 1 d . . . . .
H3B H 0.334515 0.597188 0.292726 0.026 Uiso 1 1 calc R U . . .
C4B C 0.45600(8) 0.55426(13) 0.32206(3) 0.0256(2) Uani 1 1 d . . . . .
H4B H 0.473094 0.519150 0.299329 0.031 Uiso 1 1 calc R U . . .
C5B C 0.51325(8) 0.55936(13) 0.35921(4) 0.0252(2) Uani 1 1 d . . . . .
H5B H 0.569467 0.527327 0.361872 0.030 Uiso 1 1 calc R U . . .
C6B C 0.48875(7) 0.61107(11) 0.39251(3) 0.0195(2) Uani 1 1 d . . . . .
H6B H 0.528344 0.614650 0.417815 0.023 Uiso 1 1 calc R U . . .
C1C C 0.29210(6) 0.82373(9) 0.41931(3) 0.01314(16) Uani 1 1 d . . . . .
C2C C 0.23126(6) 0.84293(9) 0.44302(3) 0.01495(17) Uani 1 1 d . . . . .
H2C H 0.229833 0.791166 0.465349 0.018 Uiso 1 1 calc R U . . .
C3C C 0.17290(7) 0.93760(10) 0.43396(3) 0.01814(19) Uani 1 1 d . . . . .
H3C H 0.131355 0.950243 0.449971 0.022 Uiso 1 1 calc R U . . .
C4C C 0.17533(7) 1.01388(10) 0.40142(4) 0.0196(2) Uani 1 1 d . . . . .
H4C H 0.134996 1.078041 0.395035 0.024 Uiso 1 1 calc R U . . .
C5C C 0.23660(8) 0.99636(10) 0.37828(4) 0.0211(2) Uani 1 1 d . . . . .
H5C H 0.238266 1.049068 0.356212 0.025 Uiso 1 1 calc R U . . .
C6C C 0.29564(7) 0.90212(10) 0.38716(3) 0.01773(18) Uani 1 1 d . . . . .
H6C H 0.338014 0.891125 0.371492 0.021 Uiso 1 1 calc R U . . .
C1D C 0.25940(7) 0.40059(9) 0.39821(3) 0.01436(17) Uani 1 1 d . . . . .
C2D C 0.18994(7) 0.35869(10) 0.36871(3) 0.01684(18) Uani 1 1 d . . . . .
H2D H 0.132852 0.375122 0.371276 0.020 Uiso 1 1 calc R U . . .
C3D C 0.20470(8) 0.29304(10) 0.33568(3) 0.0198(2) Uani 1 1 d . . . . .
H3D H 0.157639 0.265384 0.315549 0.024 Uiso 1 1 calc R U . . .
C4D C 0.28827(8) 0.26778(10) 0.33205(3) 0.0217(2) Uani 1 1 d . . . . .
H4D H 0.298154 0.224822 0.309088 0.026 Uiso 1 1 calc R U . . .
C5D C 0.35719(8) 0.30523(11) 0.36191(4) 0.0216(2) Uani 1 1 d . . . . .
H5D H 0.414065 0.285420 0.359822 0.026 Uiso 1 1 calc R U . . .
C6D C 0.34308(7) 0.37181(10) 0.39492(3) 0.01790(19) Uani 1 1 d . . . . .
H6D H 0.390360 0.397731 0.415246 0.021 Uiso 1 1 calc R U . . .
C1E C 0.14522(6) 0.57539(9) 0.42234(3) 0.01364(16) Uani 1 1 d . . . . .
C2E C 0.08921(7) 0.59509(10) 0.44840(3) 0.01699(18) Uani 1 1 d . . . . .
H2E H 0.101184 0.560906 0.474820 0.020 Uiso 1 1 calc R U . . .
C3E C 0.01565(7) 0.66509(11) 0.43552(4) 0.0221(2) Uani 1 1 d . . . . .
H3E H -0.022476 0.678696 0.453207 0.027 Uiso 1 1 calc R U . . .
C4E C -0.00195(7) 0.71499(11) 0.39685(4) 0.0241(2) Uani 1 1 d . . . . .
H4E H -0.052065 0.762725 0.388200 0.029 Uiso 1 1 calc R U . . .
C5E C 0.05339(7) 0.69536(11) 0.37082(4) 0.0217(2) Uani 1 1 d . . . . .
H5E H 0.041119 0.729623 0.344416 0.026 Uiso 1 1 calc R U . . .
C6E C 0.12667(7) 0.62564(10) 0.38338(3) 0.01706(18) Uani 1 1 d . . . . .
H6E H 0.164353 0.611983 0.365488 0.020 Uiso 1 1 calc R U . . .
C1F C 0.23113(6) 0.39717(9) 0.48094(3) 0.01367(16) Uani 1 1 d . . . . .
C2F C 0.20635(7) 0.27650(10) 0.47358(3) 0.01967(19) Uani 1 1 d . . . . .
H2F H 0.197149 0.244900 0.446844 0.024 Uiso 1 1 calc R U . . .
C3F C 0.19511(9) 0.20235(11) 0.50549(4) 0.0248(2) Uani 1 1 d . . . . .
H3F H 0.177711 0.120476 0.500334 0.030 Uiso 1 1 calc R U . . .
C4F C 0.20918(8) 0.24734(11) 0.54478(4) 0.0232(2) Uani 1 1 d . . . . .
H4F H 0.202242 0.195972 0.566440 0.028 Uiso 1 1 calc R U . . .
C5F C 0.23337(8) 0.36740(11) 0.55235(3) 0.0218(2) Uani 1 1 d . . . . .
H5F H 0.242786 0.398357 0.579172 0.026 Uiso 1 1 calc R U . . .
C6F C 0.24385(7) 0.44252(10) 0.52056(3) 0.01771(18) Uani 1 1 d . . . . .
H6F H 0.259711 0.524935 0.525769 0.021 Uiso 1 1 calc R U . . .
O1_6 O 0.2494(3) 0.8188(4) 0.19022(14) 0.0187(6) Uani 0.843(5) 1 d D U P A 1
C1_6 C 0.23406(13) 0.9198(2) 0.21006(7) 0.0155(3) Uani 0.843(5) 1 d D U P A 1
C2_6 C 0.29014(17) 1.0234(3) 0.19820(8) 0.0223(4) Uani 0.843(5) 1 d D U P A 1
F1_6 F 0.28407(15) 1.0248(2) 0.15826(5) 0.0332(4) Uani 0.843(5) 1 d D U P A 1
F2_6 F 0.2675(3) 1.1325(3) 0.20927(14) 0.0378(8) Uani 0.843(5) 1 d D U P A 1
F3_6 F 0.37286(11) 1.00656(19) 0.21520(6) 0.0321(3) Uani 0.843(5) 1 d D U P A 1
C3_6 C 0.26156(16) 0.89850(18) 0.25682(5) 0.0293(4) Uani 0.843(5) 1 d D U P A 1
F4_6 F 0.20196(16) 0.83326(13) 0.26999(5) 0.0466(5) Uani 0.843(5) 1 d D U P A 1
F5_6 F 0.33462(14) 0.83908(15) 0.26624(4) 0.0479(4) Uani 0.843(5) 1 d D U P A 1
F6_6 F 0.27104(16) 1.00140(16) 0.27795(5) 0.0438(4) Uani 0.843(5) 1 d D U P A 1
C4_6 C 0.13857(13) 0.95831(19) 0.19960(8) 0.0281(4) Uani 0.843(5) 1 d D U P A 1
F7_6 F 0.08788(9) 0.86281(14) 0.19821(7) 0.0422(5) Uani 0.843(5) 1 d D U P A 1
F8_6 F 0.11913(13) 1.03844(16) 0.22581(7) 0.0389(4) Uani 0.843(5) 1 d D U P A 1
F9_6 F 0.11980(11) 1.01052(18) 0.16274(6) 0.0464(4) Uani 0.843(5) 1 d D U P A 1
O1_3 O 0.2383(16) 0.8271(19) 0.1866(7) 0.017(2) Uani 0.157(5) 1 d D U P A 2
C1_3 C 0.2224(7) 0.9279(13) 0.2075(3) 0.0205(15) Uani 0.157(5) 1 d D U P A 2
C2_3 C 0.2914(9) 1.0243(15) 0.2043(5) 0.0272(19) Uani 0.157(5) 1 d D U P A 2
F1_3 F 0.3671(7) 0.9947(12) 0.2278(4) 0.042(2) Uani 0.157(5) 1 d D U P A 2
F2_3 F 0.2702(16) 1.1334(17) 0.2159(7) 0.027(2) Uani 0.157(5) 1 d D U P A 2
F3_3 F 0.3048(8) 1.0339(12) 0.1672(3) 0.0320(19) Uani 0.157(5) 1 d D U P A 2
C3_3 C 0.1329(6) 0.9779(10) 0.1874(4) 0.0283(17) Uani 0.157(5) 1 d D U P A 2
F4_3 F 0.0763(4) 0.8941(8) 0.1789(4) 0.0402(18) Uani 0.157(5) 1 d D U P A 2
F5_3 F 0.1385(7) 1.0341(11) 0.1527(3) 0.051(2) Uani 0.157(5) 1 d D U P A 2
F6_3 F 0.1052(6) 1.0581(8) 0.2104(3) 0.0326(17) Uani 0.157(5) 1 d D U P A 2
C4_3 C 0.2279(8) 0.8993(9) 0.2527(3) 0.0312(17) Uani 0.157(5) 1 d D U P A 2
F7_3 F 0.1561(7) 0.8470(6) 0.2573(3) 0.0392(18) Uani 0.157(5) 1 d D U P A 2
F8_3 F 0.2343(7) 1.0019(9) 0.2751(3) 0.040(2) Uani 0.157(5) 1 d D U P A 2
F9_3 F 0.2909(8) 0.8251(8) 0.2675(2) 0.046(2) Uani 0.157(5) 1 d D U P A 2
O1_7 O 0.16700(5) 0.60627(7) 0.20610(2) 0.01547(13) Uani 1 1 d D U . B 1
C1_7 C 0.10881(6) 0.52660(9) 0.21444(3) 0.01413(17) Uani 1 1 d D U . B 1
C2_7 C 0.02036(7) 0.53869(11) 0.18419(3) 0.01909(19) Uani 1 1 d D U . B 1
F1_7 F 0.00014(5) 0.65435(7) 0.17644(2) 0.02560(15) Uani 1 1 d D U . B 1
F2_7 F -0.04356(5) 0.48724(8) 0.19819(2) 0.02780(16) Uani 1 1 d D U . B 1
F3_7 F 0.02326(5) 0.48563(7) 0.14886(2) 0.02465(15) Uani 1 1 d D U . B 1
C3_7 C 0.14181(7) 0.39415(10) 0.21235(3) 0.01890(19) Uani 1 1 d D U . B 1
F4_7 F 0.20414(5) 0.36936(7) 0.24432(2) 0.02368(14) Uani 1 1 d D U . B 1
F5_7 F 0.17394(5) 0.37943(7) 0.17928(2) 0.02623(15) Uani 1 1 d D U . B 1
F6_7 F 0.08005(5) 0.31158(7) 0.21129(3) 0.02877(16) Uani 1 1 d D U . B 1
C4_7 C 0.09589(7) 0.55286(11) 0.25816(3) 0.01819(19) Uani 1 1 d D U . B 1
F7_7 F 0.17111(4) 0.57280(8) 0.28333(2) 0.02416(14) Uani 1 1 d D U . B 1
F8_7 F 0.05808(5) 0.46088(7) 0.27330(2) 0.02499(15) Uani 1 1 d D U . B 1
F9_7 F 0.04779(5) 0.65153(7) 0.25860(2) 0.02652(15) Uani 1 1 d D U . B 1
O1_8 O 0.14189(5) 0.68347(8) 0.12553(2) 0.01876(15) Uani 1 1 d D U . C 1
C1_8 C 0.12535(7) 0.70315(10) 0.08531(3) 0.01533(17) Uani 1 1 d D U . C 1
C2_8 C 0.20845(7) 0.72091(11) 0.06875(3) 0.0208(2) Uani 1 1 d D U . C 1
F1_8 F 0.26419(5) 0.79106(9) 0.09327(2) 0.03388(19) Uani 1 1 d D U . C 1
F2_8 F 0.19277(5) 0.77224(7) 0.03187(2) 0.02750(15) Uani 1 1 d D U . C 1
F3_8 F 0.24687(5) 0.61523(8) 0.06558(2) 0.03130(17) Uani 1 1 d D U . C 1
C3_8 C 0.07528(9) 0.59342(13) 0.06331(4) 0.0279(3) Uani 1 1 d D U . C 1
F4_8 F -0.00627(6) 0.59589(10) 0.06724(3) 0.0419(2) Uani 1 1 d D U . C 1
F5_8 F 0.10913(8) 0.49006(8) 0.07876(3) 0.0427(2) Uani 1 1 d D U . C 1
F6_8 F 0.07457(7) 0.59223(11) 0.02344(3) 0.0462(3) Uani 1 1 d D U . C 1
C4_8 C 0.06924(9) 0.81979(13) 0.07567(4) 0.0304(3) Uani 1 1 d D U . C 1
F7_8 F 0.00957(6) 0.82283(9) 0.09774(3) 0.0414(2) Uani 1 1 d D U . C 1
F8_8 F 0.02897(7) 0.82601(11) 0.03663(3) 0.0487(3) Uani 1 1 d D U . C 1
F9_8 F 0.11747(8) 0.91864(8) 0.08403(3) 0.0485(3) Uani 1 1 d D U . C 1
O1_9 O 0.30381(5) 0.60002(7) 0.16205(2) 0.01757(14) Uani 1 1 d D U . D 1
C1_9 C 0.38654(7) 0.56422(11) 0.17324(3) 0.01811(19) Uani 1 1 d D U . D 1
C2_9 C 0.39506(7) 0.45546(12) 0.20327(4) 0.0233(2) Uani 1 1 d D U . D 1
F1_9 F 0.35090(5) 0.47758(8) 0.23165(2) 0.02913(16) Uani 1 1 d D U . D 1
F2_9 F 0.47629(5) 0.43395(9) 0.22194(3) 0.03513(19) Uani 1 1 d D U . D 1
F3_9 F 0.36362(6) 0.35442(8) 0.18420(3) 0.03712(19) Uani 1 1 d D U . D 1
C3_9 C 0.41682(9) 0.52213(17) 0.13460(4) 0.0350(3) Uani 1 1 d D U . D 1
F4_9 F 0.42797(6) 0.61746(13) 0.11190(3) 0.0507(3) Uani 1 1 d D U . D 1
F5_9 F 0.35931(6) 0.45044(10) 0.11190(3) 0.0420(2) Uani 1 1 d D U . D 1
F6_9 F 0.49110(6) 0.46080(13) 0.14330(3) 0.0551(3) Uani 1 1 d D U . D 1
C4_9 C 0.44516(8) 0.66956(13) 0.19354(4) 0.0275(2) Uani 1 1 d D U . D 1
F7_9 F 0.42643(6) 0.77199(8) 0.17275(3) 0.0400(2) Uani 1 1 d D U . D 1
F8_9 F 0.52877(5) 0.64671(10) 0.19574(3) 0.0412(2) Uani 1 1 d D U . D 1
F9_9 F 0.43402(6) 0.68947(9) 0.23080(3) 0.0385(2) Uani 1 1 d D U . D 1


loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ga1 C1 2.0052(9) . ?
Ga1 Ga1 2.6901(3) 3_666 ?
P1 C1 1.7127(10) . ?
P1 C1C 1.8055(10) . ?
P1 C1B 1.8070(10) . ?
P1 C1A 1.8139(10) . ?
C1 P2 1.7119(10) . ?
Al1 O1_7 1.7256(8) . ?
Al1 O1_6 1.726(4) . ?
Al1 O1_9 1.7328(8) . ?
Al1 O1_8 1.7341(8) . ?
Al1 O1_3 1.74(2) . ?
P2 C1E 1.8099(10) . ?
P2 C1D 1.8129(10) . ?
P2 C1F 1.8149(10) . ?
C1A C6A 1.4009(14) . ?
C1A C2A 1.4024(14) . ?
C2A C3A 1.3943(15) . ?
C2A H2A 0.9500 . ?
C3A C4A 1.3883(17) . ?
C3A H3A 0.9500 . ?
C4A C5A 1.3908(17) . ?
C4A H4A 0.9500 . ?
C5A C6A 1.3925(16) . ?
C5A H5A 0.9500 . ?
C6A H6A 0.9500 . ?
C1B C2B 1.4008(14) . ?
C1B C6B 1.4034(14) . ?
C2B C3B 1.3891(15) . ?
C2B H2B 0.9500 . ?
C3B C4B 1.3894(16) . ?
C3B H3B 0.9500 . ?
C4B C5B 1.3879(17) . ?
C4B H4B 0.9500 . ?
C5B C6B 1.3888(15) . ?
C5B H5B 0.9500 . ?
C6B H6B 0.9500 . ?
C1C C2C 1.3986(13) . ?
C1C C6C 1.3987(14) . ?
C2C C3C 1.3892(14) . ?
C2C H2C 0.9500 . ?
C3C C4C 1.3910(16) . ?
C3C H3C 0.9500 . ?
C4C C5C 1.3880(17) . ?
C4C H4C 0.9500 . ?
C5C C6C 1.3919(15) . ?
C5C H5C 0.9500 . ?
C6C H6C 0.9500 . ?
C1D C6D 1.3988(14) . ?
C1D C2D 1.4024(14) . ?
C2D C3D 1.3913(14) . ?
C2D H2D 0.9500 . ?
C3D C4D 1.3921(17) . ?
C3D H3D 0.9500 . ?
C4D C5D 1.3881(17) . ?
C4D H4D 0.9500 . ?
C5D C6D 1.3926(15) . ?
C5D H5D 0.9500 . ?
C6D H6D 0.9500 . ?
C1E C2E 1.3975(14) . ?
C1E C6E 1.4006(14) . ?
C2E C3E 1.3949(15) . ?
C2E H2E 0.9500 . ?
C3E C4E 1.3902(18) . ?
C3E H3E 0.9500 . ?
C4E C5E 1.3881(17) . ?
C4E H4E 0.9500 . ?
C5E C6E 1.3884(15) . ?
C5E H5E 0.9500 . ?
C6E H6E 0.9500 . ?
C1F C2F 1.3958(15) . ?
C1F C6F 1.4026(14) . ?
C2F C3F 1.3943(16) . ?
C2F H2F 0.9500 . ?
C3F C4F 1.3899(17) . ?
C3F H3F 0.9500 . ?
C4F C5F 1.3880(17) . ?
C4F H4F 0.9500 . ?
C5F C6F 1.3938(15) . ?
C5F H5F 0.9500 . ?
C6F H6F 0.9500 . ?
O1_6 C1_6 1.348(2) . ?
C1_6 C4_6 1.548(2) . ?
C1_6 C2_6 1.555(3) . ?
C1_6 C3_6 1.565(2) . ?
C2_6 F1_6 1.332(2) . ?
C2_6 F2_6 1.333(3) . ?
C2_6 F3_6 1.336(3) . ?
C3_6 F5_6 1.316(3) . ?
C3_6 F6_6 1.332(2) . ?
C3_6 F4_6 1.341(2) . ?
C4_6 F7_6 1.323(2) . ?
C4_6 F8_6 1.333(2) . ?
C4_6 F9_6 1.346(2) . ?
O1_3 C1_3 1.370(13) . ?
C1_3 C4_3 1.542(11) . ?
C1_3 C3_3 1.547(11) . ?
C1_3 C2_3 1.551(12) . ?
C2_3 F3_3 1.319(12) . ?
C2_3 F2_3 1.331(13) . ?
C2_3 F1_3 1.337(12) . ?
C3_3 F4_3 1.281(10) . ?
C3_3 F6_3 1.315(10) . ?
C3_3 F5_3 1.343(10) . ?
C4_3 F9_3 1.311(10) . ?
C4_3 F7_3 1.320(10) . ?
C4_3 F8_3 1.352(10) . ?
O1_7 C1_7 1.3504(12) . ?
C1_7 C3_7 1.5596(15) . ?
C1_7 C4_7 1.5606(14) . ?
C1_7 C2_7 1.5625(14) . ?
C2_7 F1_7 1.3284(14) . ?
C2_7 F2_7 1.3374(12) . ?
C2_7 F3_7 1.3386(14) . ?
C3_7 F4_7 1.3320(13) . ?
C3_7 F5_7 1.3337(13) . ?
C3_7 F6_7 1.3365(13) . ?
C4_7 F9_7 1.3335(13) . ?
C4_7 F7_7 1.3336(12) . ?
C4_7 F8_7 1.3361(13) . ?
O1_8 C1_8 1.3453(12) . ?
C1_8 C3_8 1.5505(16) . ?
C1_8 C2_8 1.5560(15) . ?
C1_8 C4_8 1.5617(17) . ?
C2_8 F1_8 1.3278(14) . ?
C2_8 F3_8 1.3318(14) . ?
C2_8 F2_8 1.3426(13) . ?
C3_8 F5_8 1.3208(18) . ?
C3_8 F4_8 1.3352(16) . ?
C3_8 F6_8 1.3441(14) . ?
C4_8 F7_8 1.3274(15) . ?
C4_8 F9_8 1.3299(19) . ?
C4_8 F8_8 1.3408(16) . ?
O1_9 C1_9 1.3524(13) . ?
C1_9 C3_9 1.5552(16) . ?
C1_9 C4_9 1.5567(17) . ?
C1_9 C2_9 1.5581(17) . ?
C2_9 F1_9 1.3266(14) . ?
C2_9 F3_9 1.3311(15) . ?
C2_9 F2_9 1.3366(13) . ?
C3_9 F5_9 1.3255(19) . ?
C3_9 F4_9 1.335(2) . ?
C3_9 F6_9 1.3417(15) . ?
C4_9 F9_9 1.3259(16) . ?
C4_9 F7_9 1.3304(16) . ?
C4_9 F8_9 1.3434(15) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Ga1 Ga1 118.18(3) . 3_666 ?
C1 P1 C1C 114.40(5) . . ?
C1 P1 C1B 114.71(5) . . ?
C1C P1 C1B 107.28(5) . . ?
C1 P1 C1A 107.77(5) . . ?
C1C P1 C1A 104.23(5) . . ?
C1B P1 C1A 107.77(5) . . ?
P2 C1 P1 125.24(6) . . ?
P2 C1 Ga1 114.53(5) . . ?
P1 C1 Ga1 116.49(5) . . ?
O1_7 Al1 O1_6 108.11(17) . . ?
O1_7 Al1 O1_9 113.35(4) . . ?
O1_6 Al1 O1_9 108.01(15) . . ?
O1_7 Al1 O1_8 107.95(4) . . ?
O1_6 Al1 O1_8 113.32(16) . . ?
O1_9 Al1 O1_8 106.23(4) . . ?
C1 P2 C1E 115.81(5) . . ?
C1 P2 C1D 113.96(5) . . ?
C1E P2 C1D 105.58(5) . . ?
C1 P2 C1F 106.49(5) . . ?
C1E P2 C1F 107.20(5) . . ?
C1D P2 C1F 107.36(5) . . ?
C6A C1A C2A 119.07(10) . . ?
C6A C1A P1 120.70(8) . . ?
C2A C1A P1 120.05(8) . . ?
C3A C2A C1A 120.17(10) . . ?
C3A C2A H2A 119.9 . . ?
C1A C2A H2A 119.9 . . ?
C4A C3A C2A 120.29(10) . . ?
C4A C3A H3A 119.9 . . ?
C2A C3A H3A 119.9 . . ?
C3A C4A C5A 119.80(10) . . ?
C3A C4A H4A 120.1 . . ?
C5A C4A H4A 120.1 . . ?
C4A C5A C6A 120.37(11) . . ?
C4A C5A H5A 119.8 . . ?
C6A C5A H5A 119.8 . . ?
C5A C6A C1A 120.17(10) . . ?
C5A C6A H6A 119.9 . . ?
C1A C6A H6A 119.9 . . ?
C2B C1B C6B 119.00(9) . . ?
C2B C1B P1 120.34(8) . . ?
C6B C1B P1 119.88(8) . . ?
C3B C2B C1B 120.26(10) . . ?
C3B C2B H2B 119.9 . . ?
C1B C2B H2B 119.9 . . ?
C2B C3B C4B 120.29(10) . . ?
C2B C3B H3B 119.9 . . ?
C4B C3B H3B 119.9 . . ?
C5B C4B C3B 119.91(10) . . ?
C5B C4B H4B 120.0 . . ?
C3B C4B H4B 120.0 . . ?
C4B C5B C6B 120.30(10) . . ?
C4B C5B H5B 119.8 . . ?
C6B C5B H5B 119.8 . . ?
C5B C6B C1B 120.24(10) . . ?
C5B C6B H6B 119.9 . . ?
C1B C6B H6B 119.9 . . ?
C2C C1C C6C 119.85(9) . . ?
C2C C1C P1 117.92(7) . . ?
C6C C1C P1 122.11(8) . . ?
C3C C2C C1C 120.08(9) . . ?
C3C C2C H2C 120.0 . . ?
C1C C2C H2C 120.0 . . ?
C2C C3C C4C 119.97(10) . . ?
C2C C3C H3C 120.0 . . ?
C4C C3C H3C 120.0 . . ?
C5C C4C C3C 120.08(10) . . ?
C5C C4C H4C 120.0 . . ?
C3C C4C H4C 120.0 . . ?
C4C C5C C6C 120.49(10) . . ?
C4C C5C H5C 119.8 . . ?
C6C C5C H5C 119.8 . . ?
C5C C6C C1C 119.50(10) . . ?
C5C C6C H6C 120.2 . . ?
C1C C6C H6C 120.2 . . ?
C6D C1D C2D 119.49(9) . . ?
C6D C1D P2 117.97(8) . . ?
C2D C1D P2 122.50(8) . . ?
C3D C2D C1D 119.94(10) . . ?
C3D C2D H2D 120.0 . . ?
C1D C2D H2D 120.0 . . ?
C2D C3D C4D 120.15(10) . . ?
C2D C3D H3D 119.9 . . ?
C4D C3D H3D 119.9 . . ?
C5D C4D C3D 120.14(10) . . ?
C5D C4D H4D 119.9 . . ?
C3D C4D H4D 119.9 . . ?
C4D C5D C6D 120.09(10) . . ?
C4D C5D H5D 120.0 . . ?
C6D C5D H5D 120.0 . . ?
C5D C6D C1D 120.11(10) . . ?
C5D C6D H6D 119.9 . . ?
C1D C6D H6D 119.9 . . ?
C2E C1E C6E 119.61(9) . . ?
C2E C1E P2 120.39(8) . . ?
C6E C1E P2 119.80(8) . . ?
C3E C2E C1E 119.81(10) . . ?
C3E C2E H2E 120.1 . . ?
C1E C2E H2E 120.1 . . ?
C4E C3E C2E 120.11(10) . . ?
C4E C3E H3E 119.9 . . ?
C2E C3E H3E 119.9 . . ?
C5E C4E C3E 120.28(10) . . ?
C5E C4E H4E 119.9 . . ?
C3E C4E H4E 119.9 . . ?
C4E C5E C6E 119.99(11) . . ?
C4E C5E H5E 120.0 . . ?
C6E C5E H5E 120.0 . . ?
C5E C6E C1E 120.21(10) . . ?
C5E C6E H6E 119.9 . . ?
C1E C6E H6E 119.9 . . ?
C2F C1F C6F 119.24(9) . . ?
C2F C1F P2 121.04(8) . . ?
C6F C1F P2 119.72(8) . . ?
C3F C2F C1F 119.98(10) . . ?
C3F C2F H2F 120.0 . . ?
C1F C2F H2F 120.0 . . ?
C4F C3F C2F 120.48(11) . . ?
C4F C3F H3F 119.8 . . ?
C2F C3F H3F 119.8 . . ?
C5F C4F C3F 119.92(10) . . ?
C5F C4F H4F 120.0 . . ?
C3F C4F H4F 120.0 . . ?
C4F C5F C6F 119.97(11) . . ?
C4F C5F H5F 120.0 . . ?
C6F C5F H5F 120.0 . . ?
C5F C6F C1F 120.39(10) . . ?
C5F C6F H6F 119.8 . . ?
C1F C6F H6F 119.8 . . ?
C1_6 O1_6 Al1 148.5(4) . . ?
O1_6 C1_6 C4_6 112.7(2) . . ?
O1_6 C1_6 C2_6 107.7(3) . . ?
C4_6 C1_6 C2_6 109.31(18) . . ?
O1_6 C1_6 C3_6 109.7(2) . . ?
C4_6 C1_6 C3_6 108.89(16) . . ?
C2_6 C1_6 C3_6 108.44(17) . . ?
F1_6 C2_6 F2_6 107.9(3) . . ?
F1_6 C2_6 F3_6 106.90(19) . . ?
F2_6 C2_6 F3_6 107.9(3) . . ?
F1_6 C2_6 C1_6 110.3(2) . . ?
F2_6 C2_6 C1_6 112.8(3) . . ?
F3_6 C2_6 C1_6 110.88(19) . . ?
F5_6 C3_6 F6_6 107.49(17) . . ?
F5_6 C3_6 F4_6 107.81(17) . . ?
F6_6 C3_6 F4_6 106.72(16) . . ?
F5_6 C3_6 C1_6 111.31(15) . . ?
F6_6 C3_6 C1_6 112.89(17) . . ?
F4_6 C3_6 C1_6 110.38(16) . . ?
F7_6 C4_6 F8_6 108.98(16) . . ?
F7_6 C4_6 F9_6 107.05(18) . . ?
F8_6 C4_6 F9_6 107.03(17) . . ?
F7_6 C4_6 C1_6 110.71(16) . . ?
F8_6 C4_6 C1_6 112.72(18) . . ?
F9_6 C4_6 C1_6 110.13(16) . . ?
C1_3 O1_3 Al1 150(2) . . ?
O1_3 C1_3 C4_3 111.5(13) . . ?
O1_3 C1_3 C3_3 108.4(12) . . ?
C4_3 C1_3 C3_3 111.3(9) . . ?
O1_3 C1_3 C2_3 107.9(14) . . ?
C4_3 C1_3 C2_3 108.5(9) . . ?
C3_3 C1_3 C2_3 109.1(9) . . ?
F3_3 C2_3 F2_3 108.0(14) . . ?
F3_3 C2_3 F1_3 106.1(11) . . ?
F2_3 C2_3 F1_3 107.4(14) . . ?
F3_3 C2_3 C1_3 112.5(11) . . ?
F2_3 C2_3 C1_3 111.7(14) . . ?
F1_3 C2_3 C1_3 110.8(11) . . ?
F4_3 C3_3 F6_3 107.9(9) . . ?
F4_3 C3_3 F5_3 108.2(9) . . ?
F6_3 C3_3 F5_3 107.2(9) . . ?
F4_3 C3_3 C1_3 112.5(9) . . ?
F6_3 C3_3 C1_3 112.0(9) . . ?
F5_3 C3_3 C1_3 108.9(9) . . ?
F9_3 C4_3 F7_3 107.3(8) . . ?
F9_3 C4_3 F8_3 110.3(9) . . ?
F7_3 C4_3 F8_3 105.4(8) . . ?
F9_3 C4_3 C1_3 112.6(8) . . ?
F7_3 C4_3 C1_3 109.6(8) . . ?
F8_3 C4_3 C1_3 111.2(9) . . ?
C1_7 O1_7 Al1 149.89(7) . . ?
O1_7 C1_7 C3_7 110.30(8) . . ?
O1_7 C1_7 C4_7 108.10(8) . . ?
C3_7 C1_7 C4_7 109.27(8) . . ?
O1_7 C1_7 C2_7 111.92(8) . . ?
C3_7 C1_7 C2_7 108.48(9) . . ?
C4_7 C1_7 C2_7 108.74(8) . . ?
F1_7 C2_7 F2_7 107.80(9) . . ?
F1_7 C2_7 F3_7 107.27(9) . . ?
F2_7 C2_7 F3_7 107.58(9) . . ?
F1_7 C2_7 C1_7 111.03(9) . . ?
F2_7 C2_7 C1_7 112.51(9) . . ?
F3_7 C2_7 C1_7 110.42(9) . . ?
F4_7 C3_7 F5_7 107.51(9) . . ?
F4_7 C3_7 F6_7 107.53(9) . . ?
F5_7 C3_7 F6_7 107.81(9) . . ?
F4_7 C3_7 C1_7 110.90(9) . . ?
F5_7 C3_7 C1_7 110.18(9) . . ?
F6_7 C3_7 C1_7 112.70(9) . . ?
F9_7 C4_7 F7_7 107.47(9) . . ?
F9_7 C4_7 F8_7 107.96(9) . . ?
F7_7 C4_7 F8_7 107.41(9) . . ?
F9_7 C4_7 C1_7 110.70(9) . . ?
F7_7 C4_7 C1_7 110.66(8) . . ?
F8_7 C4_7 C1_7 112.44(9) . . ?
C1_8 O1_8 Al1 149.10(7) . . ?
O1_8 C1_8 C3_8 109.22(9) . . ?
O1_8 C1_8 C2_8 112.53(9) . . ?
C3_8 C1_8 C2_8 108.50(9) . . ?
O1_8 C1_8 C4_8 108.95(9) . . ?
C3_8 C1_8 C4_8 109.21(10) . . ?
C2_8 C1_8 C4_8 108.38(9) . . ?
F1_8 C2_8 F3_8 107.55(10) . . ?
F1_8 C2_8 F2_8 107.55(10) . . ?
F3_8 C2_8 F2_8 107.05(9) . . ?
F1_8 C2_8 C1_8 110.97(9) . . ?
F3_8 C2_8 C1_8 111.09(9) . . ?
F2_8 C2_8 C1_8 112.39(9) . . ?
F5_8 C3_8 F4_8 107.67(11) . . ?
F5_8 C3_8 F6_8 107.67(12) . . ?
F4_8 C3_8 F6_8 107.33(11) . . ?
F5_8 C3_8 C1_8 111.01(11) . . ?
F4_8 C3_8 C1_8 110.48(11) . . ?
F6_8 C3_8 C1_8 112.47(10) . . ?
F7_8 C4_8 F9_8 108.13(12) . . ?
F7_8 C4_8 F8_8 107.43(12) . . ?
F9_8 C4_8 F8_8 107.58(12) . . ?
F7_8 C4_8 C1_8 110.55(10) . . ?
F9_8 C4_8 C1_8 110.56(11) . . ?
F8_8 C4_8 C1_8 112.42(11) . . ?
C1_9 O1_9 Al1 151.18(7) . . ?
O1_9 C1_9 C3_9 108.07(9) . . ?
O1_9 C1_9 C4_9 111.39(10) . . ?
C3_9 C1_9 C4_9 109.16(10) . . ?
O1_9 C1_9 C2_9 110.64(9) . . ?
C3_9 C1_9 C2_9 108.45(10) . . ?
C4_9 C1_9 C2_9 109.07(9) . . ?
F1_9 C2_9 F3_9 107.48(10) . . ?
F1_9 C2_9 F2_9 107.54(10) . . ?
F3_9 C2_9 F2_9 107.93(10) . . ?
F1_9 C2_9 C1_9 110.00(10) . . ?
F3_9 C2_9 C1_9 110.97(10) . . ?
F2_9 C2_9 C1_9 112.71(10) . . ?
F5_9 C3_9 F4_9 107.32(12) . . ?
F5_9 C3_9 F6_9 107.25(13) . . ?
F4_9 C3_9 F6_9 107.71(12) . . ?
F5_9 C3_9 C1_9 111.34(11) . . ?
F4_9 C3_9 C1_9 110.45(13) . . ?
F6_9 C3_9 C1_9 112.53(11) . . ?
F9_9 C4_9 F7_9 107.46(12) . . ?
F9_9 C4_9 F8_9 108.02(11) . . ?
F7_9 C4_9 F8_9 107.34(10) . . ?
F9_9 C4_9 C1_9 110.67(10) . . ?
F7_9 C4_9 C1_9 110.78(11) . . ?
F8_9 C4_9 C1_9 112.38(11) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1C P1 C1 P2 61.01(8) . . . . ?
C1B P1 C1 P2 -63.58(8) . . . . ?
C1A P1 C1 P2 176.40(6) . . . . ?
C1C P1 C1 Ga1 -142.05(5) . . . . ?
C1B P1 C1 Ga1 93.36(6) . . . . ?
C1A P1 C1 Ga1 -26.66(7) . . . . ?
P1 C1 P2 C1E -55.93(8) . . . . ?
Ga1 C1 P2 C1E 146.73(5) . . . . ?
P1 C1 P2 C1D 66.84(8) . . . . ?
Ga1 C1 P2 C1D -90.49(6) . . . . ?
P1 C1 P2 C1F -174.99(6) . . . . ?
Ga1 C1 P2 C1F 27.67(6) . . . . ?
C1 P1 C1A C6A 151.65(9) . . . . ?
C1C P1 C1A C6A -86.42(9) . . . . ?
C1B P1 C1A C6A 27.35(10) . . . . ?
C1 P1 C1A C2A -33.30(10) . . . . ?
C1C P1 C1A C2A 88.63(9) . . . . ?
C1B P1 C1A C2A -157.60(8) . . . . ?
C6A C1A C2A C3A -4.05(16) . . . . ?
P1 C1A C2A C3A -179.18(8) . . . . ?
C1A C2A C3A C4A 1.83(17) . . . . ?
C2A C3A C4A C5A 1.48(18) . . . . ?
C3A C4A C5A C6A -2.54(19) . . . . ?
C4A C5A C6A C1A 0.28(18) . . . . ?
C2A C1A C6A C5A 3.00(16) . . . . ?
P1 C1A C6A C5A 178.10(9) . . . . ?
C1 P1 C1B C2B 88.48(10) . . . . ?
C1C P1 C1B C2B -39.79(10) . . . . ?
C1A P1 C1B C2B -151.50(9) . . . . ?
C1 P1 C1B C6B -81.30(10) . . . . ?
C1C P1 C1B C6B 150.43(9) . . . . ?
C1A P1 C1B C6B 38.71(10) . . . . ?
C6B C1B C2B C3B -0.49(17) . . . . ?
P1 C1B C2B C3B -170.36(9) . . . . ?
C1B C2B C3B C4B 0.52(18) . . . . ?
C2B C3B C4B C5B -0.1(2) . . . . ?
C3B C4B C5B C6B -0.3(2) . . . . ?
C4B C5B C6B C1B 0.3(2) . . . . ?
C2B C1B C6B C5B 0.07(17) . . . . ?
P1 C1B C6B C5B 169.99(10) . . . . ?
C1 P1 C1C C2C 27.74(10) . . . . ?
C1B P1 C1C C2C 156.19(8) . . . . ?
C1A P1 C1C C2C -89.70(9) . . . . ?
C1 P1 C1C C6C -156.33(9) . . . . ?
C1B P1 C1C C6C -27.88(10) . . . . ?
C1A P1 C1C C6C 86.24(9) . . . . ?
C6C C1C C2C C3C 1.80(16) . . . . ?
P1 C1C C2C C3C 177.82(8) . . . . ?
C1C C2C C3C C4C -0.41(16) . . . . ?
C2C C3C C4C C5C -0.72(17) . . . . ?
C3C C4C C5C C6C 0.47(18) . . . . ?
C4C C5C C6C C1C 0.92(17) . . . . ?
C2C C1C C6C C5C -2.04(16) . . . . ?
P1 C1C C6C C5C -177.90(9) . . . . ?
C1 P2 C1D C6D 23.53(10) . . . . ?
C1E P2 C1D C6D 151.73(8) . . . . ?
C1F P2 C1D C6D -94.14(9) . . . . ?
C1 P2 C1D C2D -154.20(8) . . . . ?
C1E P2 C1D C2D -25.99(10) . . . . ?
C1F P2 C1D C2D 88.14(9) . . . . ?
C6D C1D C2D C3D -2.47(15) . . . . ?
P2 C1D C2D C3D 175.22(8) . . . . ?
C1D C2D C3D C4D 0.65(16) . . . . ?
C2D C3D C4D C5D 1.69(17) . . . . ?
C3D C4D C5D C6D -2.19(17) . . . . ?
C4D C5D C6D C1D 0.35(17) . . . . ?
C2D C1D C6D C5D 1.97(16) . . . . ?
P2 C1D C6D C5D -175.82(9) . . . . ?
C1 P2 C1E C2E -92.06(9) . . . . ?
C1D P2 C1E C2E 140.84(9) . . . . ?
C1F P2 C1E C2E 26.60(10) . . . . ?
C1 P2 C1E C6E 82.80(9) . . . . ?
C1D P2 C1E C6E -44.29(9) . . . . ?
C1F P2 C1E C6E -158.53(8) . . . . ?
C6E C1E C2E C3E -0.37(16) . . . . ?
P2 C1E C2E C3E 174.51(9) . . . . ?
C1E C2E C3E C4E 0.09(17) . . . . ?
C2E C3E C4E C5E 0.10(19) . . . . ?
C3E C4E C5E C6E 0.00(19) . . . . ?
C4E C5E C6E C1E -0.28(17) . . . . ?
C2E C1E C6E C5E 0.47(16) . . . . ?
P2 C1E C6E C5E -174.44(9) . . . . ?
C1 P2 C1F C2F -141.86(9) . . . . ?
C1E P2 C1F C2F 93.60(9) . . . . ?
C1D P2 C1F C2F -19.43(10) . . . . ?
C1 P2 C1F C6F 39.00(9) . . . . ?
C1E P2 C1F C6F -85.53(9) . . . . ?
C1D P2 C1F C6F 161.43(8) . . . . ?
C6F C1F C2F C3F -0.44(16) . . . . ?
P2 C1F C2F C3F -179.58(9) . . . . ?
C1F C2F C3F C4F -0.60(19) . . . . ?
C2F C3F C4F C5F 0.95(19) . . . . ?
C3F C4F C5F C6F -0.25(18) . . . . ?
C4F C5F C6F C1F -0.80(17) . . . . ?
C2F C1F C6F C5F 1.14(16) . . . . ?
P2 C1F C6F C5F -179.71(9) . . . . ?
O1_7 Al1 O1_6 C1_6 -39.8(7) . . . . ?
O1_9 Al1 O1_6 C1_6 -162.8(6) . . . . ?
O1_8 Al1 O1_6 C1_6 79.8(7) . . . . ?
Al1 O1_6 C1_6 C4_6 -37.4(7) . . . . ?
Al1 O1_6 C1_6 C2_6 -158.1(6) . . . . ?
Al1 O1_6 C1_6 C3_6 84.1(6) . . . . ?
O1_6 C1_6 C2_6 F1_6 46.3(3) . . . . ?
C4_6 C1_6 C2_6 F1_6 -76.5(2) . . . . ?
C3_6 C1_6 C2_6 F1_6 164.9(2) . . . . ?
O1_6 C1_6 C2_6 F2_6 167.0(3) . . . . ?
C4_6 C1_6 C2_6 F2_6 44.2(3) . . . . ?
C3_6 C1_6 C2_6 F2_6 -74.4(3) . . . . ?
O1_6 C1_6 C2_6 F3_6 -71.9(3) . . . . ?
C4_6 C1_6 C2_6 F3_6 165.3(2) . . . . ?
C3_6 C1_6 C2_6 F3_6 46.7(2) . . . . ?
O1_6 C1_6 C3_6 F5_6 41.4(3) . . . . ?
C4_6 C1_6 C3_6 F5_6 165.20(17) . . . . ?
C2_6 C1_6 C3_6 F5_6 -76.0(2) . . . . ?
O1_6 C1_6 C3_6 F6_6 162.4(3) . . . . ?
C4_6 C1_6 C3_6 F6_6 -73.8(2) . . . . ?
C2_6 C1_6 C3_6 F6_6 45.0(2) . . . . ?
O1_6 C1_6 C3_6 F4_6 -78.3(3) . . . . ?
C4_6 C1_6 C3_6 F4_6 45.5(2) . . . . ?
C2_6 C1_6 C3_6 F4_6 164.36(18) . . . . ?
O1_6 C1_6 C4_6 F7_6 42.3(3) . . . . ?
C2_6 C1_6 C4_6 F7_6 162.07(19) . . . . ?
C3_6 C1_6 C4_6 F7_6 -79.6(2) . . . . ?
O1_6 C1_6 C4_6 F8_6 164.7(3) . . . . ?
C2_6 C1_6 C4_6 F8_6 -75.6(2) . . . . ?
C3_6 C1_6 C4_6 F8_6 42.7(2) . . . . ?
O1_6 C1_6 C4_6 F9_6 -75.9(3) . . . . ?
C2_6 C1_6 C4_6 F9_6 43.9(2) . . . . ?
C3_6 C1_6 C4_6 F9_6 162.18(17) . . . . ?
Al1 O1_3 C1_3 C4_3 56(4) . . . . ?
Al1 O1_3 C1_3 C3_3 -67(4) . . . . ?
Al1 O1_3 C1_3 C2_3 175(3) . . . . ?
O1_3 C1_3 C2_3 F3_3 44.4(17) . . . . ?
C4_3 C1_3 C2_3 F3_3 165.5(11) . . . . ?
C3_3 C1_3 C2_3 F3_3 -73.2(14) . . . . ?
O1_3 C1_3 C2_3 F2_3 166.1(17) . . . . ?
C4_3 C1_3 C2_3 F2_3 -72.9(16) . . . . ?
C3_3 C1_3 C2_3 F2_3 48.5(16) . . . . ?
O1_3 C1_3 C2_3 F1_3 -74.2(16) . . . . ?
C4_3 C1_3 C2_3 F1_3 46.8(14) . . . . ?
C3_3 C1_3 C2_3 F1_3 168.2(11) . . . . ?
O1_3 C1_3 C3_3 F4_3 44.8(16) . . . . ?
C4_3 C1_3 C3_3 F4_3 -78.2(12) . . . . ?
C2_3 C1_3 C3_3 F4_3 162.1(10) . . . . ?
O1_3 C1_3 C3_3 F6_3 166.5(15) . . . . ?
C4_3 C1_3 C3_3 F6_3 43.5(13) . . . . ?
C2_3 C1_3 C3_3 F6_3 -76.2(12) . . . . ?
O1_3 C1_3 C3_3 F5_3 -75.1(16) . . . . ?
C4_3 C1_3 C3_3 F5_3 161.9(10) . . . . ?
C2_3 C1_3 C3_3 F5_3 42.2(12) . . . . ?
O1_3 C1_3 C4_3 F9_3 39.7(15) . . . . ?
C3_3 C1_3 C4_3 F9_3 160.9(9) . . . . ?
C2_3 C1_3 C4_3 F9_3 -79.1(12) . . . . ?
O1_3 C1_3 C4_3 F7_3 -79.7(14) . . . . ?
C3_3 C1_3 C4_3 F7_3 41.6(12) . . . . ?
C2_3 C1_3 C4_3 F7_3 161.6(9) . . . . ?
O1_3 C1_3 C4_3 F8_3 164.1(13) . . . . ?
C3_3 C1_3 C4_3 F8_3 -74.7(11) . . . . ?
C2_3 C1_3 C4_3 F8_3 45.3(12) . . . . ?
O1_6 Al1 O1_7 C1_7 151.0(2) . . . . ?
O1_9 Al1 O1_7 C1_7 -89.32(15) . . . . ?
O1_8 Al1 O1_7 C1_7 28.06(15) . . . . ?
Al1 O1_7 C1_7 C3_7 76.77(16) . . . . ?
Al1 O1_7 C1_7 C4_7 -163.82(11) . . . . ?
Al1 O1_7 C1_7 C2_7 -44.10(18) . . . . ?
O1_7 C1_7 C2_7 F1_7 -41.24(12) . . . . ?
C3_7 C1_7 C2_7 F1_7 -163.16(9) . . . . ?
C4_7 C1_7 C2_7 F1_7 78.11(11) . . . . ?
O1_7 C1_7 C2_7 F2_7 -162.17(9) . . . . ?
C3_7 C1_7 C2_7 F2_7 75.91(11) . . . . ?
C4_7 C1_7 C2_7 F2_7 -42.82(12) . . . . ?
O1_7 C1_7 C2_7 F3_7 77.62(11) . . . . ?
C3_7 C1_7 C2_7 F3_7 -44.30(11) . . . . ?
C4_7 C1_7 C2_7 F3_7 -163.03(9) . . . . ?
O1_7 C1_7 C3_7 F4_7 73.49(11) . . . . ?
C4_7 C1_7 C3_7 F4_7 -45.21(11) . . . . ?
C2_7 C1_7 C3_7 F4_7 -163.61(8) . . . . ?
O1_7 C1_7 C3_7 F5_7 -45.43(11) . . . . ?
C4_7 C1_7 C3_7 F5_7 -164.13(8) . . . . ?
C2_7 C1_7 C3_7 F5_7 77.47(10) . . . . ?
O1_7 C1_7 C3_7 F6_7 -165.90(9) . . . . ?
C4_7 C1_7 C3_7 F6_7 75.40(11) . . . . ?
C2_7 C1_7 C3_7 F6_7 -43.00(12) . . . . ?
O1_7 C1_7 C4_7 F9_7 75.92(10) . . . . ?
C3_7 C1_7 C4_7 F9_7 -164.02(8) . . . . ?
C2_7 C1_7 C4_7 F9_7 -45.78(11) . . . . ?
O1_7 C1_7 C4_7 F7_7 -43.13(12) . . . . ?
C3_7 C1_7 C4_7 F7_7 76.93(11) . . . . ?
C2_7 C1_7 C4_7 F7_7 -164.83(9) . . . . ?
O1_7 C1_7 C4_7 F8_7 -163.24(9) . . . . ?
C3_7 C1_7 C4_7 F8_7 -43.18(11) . . . . ?
C2_7 C1_7 C4_7 F8_7 75.06(11) . . . . ?
O1_7 Al1 O1_8 C1_8 -166.72(15) . . . . ?
O1_6 Al1 O1_8 C1_8 73.6(2) . . . . ?
O1_9 Al1 O1_8 C1_8 -44.83(16) . . . . ?
Al1 O1_8 C1_8 C3_8 128.03(14) . . . . ?
Al1 O1_8 C1_8 C2_8 7.5(2) . . . . ?
Al1 O1_8 C1_8 C4_8 -112.76(15) . . . . ?
O1_8 C1_8 C2_8 F1_8 -42.57(13) . . . . ?
C3_8 C1_8 C2_8 F1_8 -163.54(10) . . . . ?
C4_8 C1_8 C2_8 F1_8 77.98(12) . . . . ?
O1_8 C1_8 C2_8 F3_8 77.03(12) . . . . ?
C3_8 C1_8 C2_8 F3_8 -43.94(12) . . . . ?
C4_8 C1_8 C2_8 F3_8 -162.42(10) . . . . ?
O1_8 C1_8 C2_8 F2_8 -163.04(9) . . . . ?
C3_8 C1_8 C2_8 F2_8 75.98(12) . . . . ?
C4_8 C1_8 C2_8 F2_8 -42.49(13) . . . . ?
O1_8 C1_8 C3_8 F5_8 -44.14(13) . . . . ?
C2_8 C1_8 C3_8 F5_8 78.86(12) . . . . ?
C4_8 C1_8 C3_8 F5_8 -163.19(10) . . . . ?
O1_8 C1_8 C3_8 F4_8 75.24(13) . . . . ?
C2_8 C1_8 C3_8 F4_8 -161.76(10) . . . . ?
C4_8 C1_8 C3_8 F4_8 -43.81(13) . . . . ?
O1_8 C1_8 C3_8 F6_8 -164.85(11) . . . . ?
C2_8 C1_8 C3_8 F6_8 -41.85(15) . . . . ?
C4_8 C1_8 C3_8 F6_8 76.10(14) . . . . ?
O1_8 C1_8 C4_8 F7_8 -41.25(15) . . . . ?
C3_8 C1_8 C4_8 F7_8 77.97(14) . . . . ?
C2_8 C1_8 C4_8 F7_8 -164.00(11) . . . . ?
O1_8 C1_8 C4_8 F9_8 78.46(12) . . . . ?
C3_8 C1_8 C4_8 F9_8 -162.32(10) . . . . ?
C2_8 C1_8 C4_8 F9_8 -44.30(13) . . . . ?
O1_8 C1_8 C4_8 F8_8 -161.30(11) . . . . ?
C3_8 C1_8 C4_8 F8_8 -42.08(14) . . . . ?
C2_8 C1_8 C4_8 F8_8 75.95(14) . . . . ?
O1_7 Al1 O1_9 C1_9 -74.30(17) . . . . ?
O1_6 Al1 O1_9 C1_9 45.5(2) . . . . ?
O1_8 Al1 O1_9 C1_9 167.33(16) . . . . ?
Al1 O1_9 C1_9 C3_9 -162.15(14) . . . . ?
Al1 O1_9 C1_9 C4_9 -42.2(2) . . . . ?
Al1 O1_9 C1_9 C2_9 79.25(18) . . . . ?
O1_9 C1_9 C2_9 F1_9 -46.27(12) . . . . ?
C3_9 C1_9 C2_9 F1_9 -164.64(10) . . . . ?
C4_9 C1_9 C2_9 F1_9 76.58(11) . . . . ?
O1_9 C1_9 C2_9 F3_9 72.53(12) . . . . ?
C3_9 C1_9 C2_9 F3_9 -45.84(13) . . . . ?
C4_9 C1_9 C2_9 F3_9 -164.62(10) . . . . ?
O1_9 C1_9 C2_9 F2_9 -166.27(10) . . . . ?
C3_9 C1_9 C2_9 F2_9 75.36(13) . . . . ?
C4_9 C1_9 C2_9 F2_9 -43.42(13) . . . . ?
O1_9 C1_9 C3_9 F5_9 -46.00(15) . . . . ?
C4_9 C1_9 C3_9 F5_9 -167.29(12) . . . . ?
C2_9 C1_9 C3_9 F5_9 73.98(13) . . . . ?
O1_9 C1_9 C3_9 F4_9 73.13(13) . . . . ?
C4_9 C1_9 C3_9 F4_9 -48.16(14) . . . . ?
C2_9 C1_9 C3_9 F4_9 -166.88(10) . . . . ?
O1_9 C1_9 C3_9 F6_9 -166.45(13) . . . . ?
C4_9 C1_9 C3_9 F6_9 72.26(17) . . . . ?
C2_9 C1_9 C3_9 F6_9 -46.47(17) . . . . ?
O1_9 C1_9 C4_9 F9_9 74.67(13) . . . . ?
C3_9 C1_9 C4_9 F9_9 -166.07(11) . . . . ?
C2_9 C1_9 C4_9 F9_9 -47.73(13) . . . . ?
O1_9 C1_9 C4_9 F7_9 -44.41(13) . . . . ?
C3_9 C1_9 C4_9 F7_9 74.85(13) . . . . ?
C2_9 C1_9 C4_9 F7_9 -166.82(10) . . . . ?
O1_9 C1_9 C4_9 F8_9 -164.48(10) . . . . ?
C3_9 C1_9 C4_9 F8_9 -45.22(14) . . . . ?
C2_9 C1_9 C4_9 F8_9 73.12(12) . . . . ?

